REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ofn_1_D DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.607 174.600 0.011 0.000 1.055 6 S CA 0.000 58.206 58.200 0.010 0.000 1.107 6 S CB 0.000 63.205 63.200 0.007 0.000 0.593 7 T N 3.662 118.223 114.554 0.011 0.000 2.755 7 T HA 0.336 4.686 4.350 0.000 0.000 0.251 7 T C -2.028 172.682 174.700 0.017 0.000 1.044 7 T CA 0.987 63.093 62.100 0.011 0.000 1.154 7 T CB -1.542 67.331 68.868 0.009 0.000 0.866 7 T HN 0.478 nan 8.240 nan 0.000 0.416 8 P HA 0.468 nan 4.420 nan 0.000 0.288 8 P C -1.002 176.324 177.300 0.043 0.000 1.363 8 P CA -0.547 62.570 63.100 0.029 0.000 0.837 8 P CB 0.012 31.727 31.700 0.024 0.000 0.981 9 I N 1.774 122.378 120.570 0.057 0.000 2.556 9 I HA 0.320 4.490 4.170 0.000 0.000 0.284 9 I C 1.108 177.316 176.117 0.153 0.000 1.114 9 I CA 0.554 61.909 61.300 0.092 0.000 1.418 9 I CB 0.326 38.371 38.000 0.074 0.000 1.394 9 I HN 0.251 nan 8.210 nan 0.000 0.552 10 T N 4.008 118.658 114.554 0.159 0.000 2.916 10 T HA 0.841 5.191 4.350 0.000 0.000 0.298 10 T C -0.365 174.289 174.700 -0.077 0.000 1.031 10 T CA -0.380 61.762 62.100 0.070 0.000 0.993 10 T CB 1.127 70.005 68.868 0.018 0.000 1.045 10 T HN 0.904 nan 8.240 nan 0.000 0.454 11 G N 2.514 111.106 108.800 -0.347 0.000 2.949 11 G HA2 0.724 4.684 3.960 0.000 0.000 0.285 11 G HA3 0.724 4.684 3.960 0.000 0.000 0.285 11 G C -1.727 172.924 174.900 -0.416 0.000 1.395 11 G CA -0.841 43.805 45.100 -0.757 0.000 0.901 11 G HN 0.737 nan 8.290 nan 0.000 0.519 12 K N 0.050 120.234 120.400 -0.359 0.000 2.397 12 K HA 0.493 4.813 4.320 0.000 0.000 0.253 12 K C -0.637 175.887 176.600 -0.127 0.000 0.932 12 K CA -0.714 55.472 56.287 -0.169 0.000 0.795 12 K CB 2.929 35.377 32.500 -0.086 0.000 1.159 12 K HN 0.260 nan 8.250 nan 0.000 0.424 13 V N 2.567 122.431 119.914 -0.084 0.000 2.694 13 V HA -0.079 4.041 4.120 0.000 0.000 0.306 13 V C 1.361 177.437 176.094 -0.030 0.000 1.054 13 V CA 1.166 63.441 62.300 -0.043 0.000 1.161 13 V CB 0.779 32.585 31.823 -0.028 0.000 0.916 13 V HN 1.097 nan 8.190 nan 0.000 0.490 14 T N 0.600 115.147 114.554 -0.012 0.000 2.986 14 T HA 0.600 4.950 4.350 0.000 0.000 0.264 14 T C 0.120 174.816 174.700 -0.006 0.000 0.964 14 T CA 0.446 62.538 62.100 -0.013 0.000 0.895 14 T CB 0.572 69.434 68.868 -0.010 0.000 1.163 14 T HN 1.132 nan 8.240 nan 0.000 0.517 15 A N 0.681 123.503 122.820 0.003 0.000 2.517 15 A HA 0.699 5.019 4.320 0.000 0.000 0.297 15 A C -1.475 176.113 177.584 0.007 0.000 1.050 15 A CA -0.649 51.391 52.037 0.005 0.000 0.694 15 A CB 1.888 20.895 19.000 0.011 0.000 1.277 15 A HN 0.317 nan 8.150 nan 0.000 0.400 16 V N 3.103 123.020 119.914 0.004 0.000 2.376 16 V HA 0.503 4.623 4.120 0.000 0.000 0.287 16 V C -0.765 175.333 176.094 0.006 0.000 1.015 16 V CA -0.068 62.236 62.300 0.006 0.000 0.834 16 V CB 0.911 32.736 31.823 0.003 0.000 1.001 16 V HN 0.669 nan 8.190 nan 0.000 0.428 17 I N 4.193 124.768 120.570 0.008 0.000 2.521 17 I HA 0.671 4.841 4.170 0.000 0.000 0.277 17 I C 1.097 177.218 176.117 0.007 0.000 1.054 17 I CA -0.217 61.087 61.300 0.006 0.000 1.117 17 I CB 1.225 39.229 38.000 0.007 0.000 1.217 17 I HN 0.744 nan 8.210 nan 0.000 0.469 18 G N 4.810 113.613 108.800 0.005 0.000 2.672 18 G HA2 -0.406 3.554 3.960 0.000 0.000 0.332 18 G HA3 -0.406 3.554 3.960 0.000 0.000 0.332 18 G C 0.929 175.833 174.900 0.007 0.000 1.213 18 G CA 0.797 45.899 45.100 0.005 0.000 0.980 18 G HN 0.886 nan 8.290 nan 0.000 0.548 19 A N -0.474 122.350 122.820 0.007 0.000 2.275 19 A HA 0.576 4.896 4.320 0.000 0.000 0.212 19 A C 0.837 178.430 177.584 0.015 0.000 1.201 19 A CA 0.717 52.760 52.037 0.011 0.000 0.843 19 A CB 0.037 19.043 19.000 0.009 0.000 0.873 19 A HN 0.567 nan 8.150 nan 0.000 0.492 20 I N 1.646 122.224 120.570 0.014 0.000 2.328 20 I HA 0.298 4.468 4.170 0.000 0.000 0.287 20 I C -0.692 175.439 176.117 0.022 0.000 1.012 20 I CA -0.493 60.819 61.300 0.019 0.000 1.195 20 I CB 1.034 39.044 38.000 0.017 0.000 1.350 20 I HN -0.151 nan 8.210 nan 0.000 0.464 21 V N 5.556 125.487 119.914 0.029 0.000 2.483 21 V HA 0.400 4.520 4.120 0.000 0.000 0.295 21 V C -0.183 175.938 176.094 0.044 0.000 1.035 21 V CA -0.766 61.553 62.300 0.031 0.000 0.896 21 V CB 2.204 34.045 31.823 0.029 0.000 0.986 21 V HN 0.527 nan 8.190 nan 0.000 0.447 22 D N 2.757 123.182 120.400 0.041 0.000 2.177 22 D HA 0.609 5.249 4.640 0.000 0.000 0.247 22 D C -0.677 175.656 176.300 0.055 0.000 1.063 22 D CA -0.033 54.002 54.000 0.058 0.000 0.867 22 D CB 2.154 42.984 40.800 0.050 0.000 1.168 22 D HN 0.279 nan 8.370 nan 0.000 0.445 23 V N 2.696 122.664 119.914 0.090 0.000 2.577 23 V HA 0.170 4.290 4.120 0.000 0.000 0.303 23 V C -0.248 175.877 176.094 0.051 0.000 1.042 23 V CA -0.878 61.440 62.300 0.030 0.000 0.872 23 V CB 1.993 33.835 31.823 0.031 0.000 0.998 23 V HN 0.558 nan 8.190 nan 0.000 0.423 24 H N 4.180 123.144 119.070 -0.176 0.000 2.467 24 H HA 0.660 5.216 4.556 0.000 0.000 0.331 24 H C -1.645 173.476 175.328 -0.346 0.000 1.120 24 H CA -0.160 55.822 56.048 -0.111 0.000 1.270 24 H CB 1.471 31.191 29.762 -0.071 0.000 1.466 24 H HN 0.485 nan 8.280 nan 0.000 0.504 25 F N 0.969 120.499 119.950 -0.699 0.000 2.740 25 F HA 0.255 4.782 4.527 0.000 0.000 0.357 25 F C 0.441 175.916 175.800 -0.541 0.000 1.141 25 F CA -0.922 56.809 58.000 -0.448 0.000 1.044 25 F CB 0.834 39.674 39.000 -0.266 0.000 1.430 25 F HN 0.459 nan 8.300 nan 0.000 0.518 26 E N 0.039 120.229 120.200 -0.016 0.000 2.330 26 E HA 0.158 4.508 4.350 0.000 0.000 0.256 26 E C -0.804 175.779 176.600 -0.028 0.000 1.146 26 E CA -0.704 55.682 56.400 -0.024 0.000 0.945 26 E CB 0.301 30.014 29.700 0.021 0.000 1.182 26 E HN 0.541 nan 8.360 nan 0.000 0.480 27 Q N -0.070 119.725 119.800 -0.009 0.000 2.269 27 Q HA -0.013 4.327 4.340 0.000 0.000 0.300 27 Q C 0.056 176.038 176.000 -0.029 0.000 1.070 27 Q CA 0.736 56.531 55.803 -0.015 0.000 0.957 27 Q CB -0.214 28.523 28.738 -0.000 0.000 1.131 27 Q HN 0.623 nan 8.270 nan 0.000 0.377 28 S N 0.916 116.588 115.700 -0.047 0.000 3.350 28 S HA -0.314 4.156 4.470 0.000 0.000 0.341 28 S C 0.223 174.779 174.600 -0.072 0.000 1.176 28 S CA 1.735 59.900 58.200 -0.058 0.000 0.972 28 S CB -2.080 61.099 63.200 -0.035 0.000 0.953 28 S HN 1.004 nan 8.310 nan 0.000 0.565 29 E N -0.091 120.057 120.200 -0.087 0.000 2.685 29 E HA 0.539 4.889 4.350 0.000 0.000 0.208 29 E C 0.160 176.610 176.600 -0.250 0.000 0.996 29 E CA -0.841 55.499 56.400 -0.100 0.000 1.054 29 E CB 0.166 29.855 29.700 -0.019 0.000 1.075 29 E HN 0.714 nan 8.360 nan 0.000 0.460 30 L N 2.842 123.868 121.223 -0.329 0.000 2.416 30 L HA 0.319 4.659 4.340 0.000 0.000 0.272 30 L C -1.698 174.909 176.870 -0.438 0.000 1.161 30 L CA -1.937 52.560 54.840 -0.572 0.000 0.845 30 L CB 0.271 41.990 42.059 -0.567 0.000 1.119 30 L HN 0.205 nan 8.230 nan 0.000 0.464 31 P HA 0.186 nan 4.420 nan 0.000 0.275 31 P C -0.671 176.605 177.300 -0.040 0.000 1.228 31 P CA -0.523 62.423 63.100 -0.258 0.000 0.786 31 P CB 1.049 32.579 31.700 -0.283 0.000 0.927 32 A N 3.335 126.139 122.820 -0.027 0.000 2.448 32 A HA 0.190 4.511 4.320 0.000 0.000 0.239 32 A C 0.737 178.285 177.584 -0.061 0.000 1.080 32 A CA -0.406 51.618 52.037 -0.022 0.000 0.779 32 A CB -0.496 18.472 19.000 -0.053 0.000 1.026 32 A HN 0.555 nan 8.150 nan 0.000 0.499 33 I N 0.772 121.243 120.570 -0.166 0.000 2.752 33 I HA 0.014 4.184 4.170 0.000 0.000 0.287 33 I C 0.581 176.604 176.117 -0.156 0.000 1.188 33 I CA 0.636 61.831 61.300 -0.175 0.000 1.427 33 I CB 0.222 38.079 38.000 -0.240 0.000 1.365 33 I HN 0.710 nan 8.210 nan 0.000 0.585 34 L N 2.506 123.637 121.223 -0.152 0.000 4.692 34 L HA -0.203 4.137 4.340 0.000 0.000 0.400 34 L C -0.110 176.694 176.870 -0.109 0.000 0.912 34 L CA -0.037 54.671 54.840 -0.220 0.000 1.662 34 L CB -1.606 40.194 42.059 -0.430 0.000 1.814 34 L HN 0.693 nan 8.230 nan 0.000 0.580 35 N N 1.269 119.936 118.700 -0.056 0.000 2.529 35 N HA 0.547 5.287 4.740 0.000 0.000 0.278 35 N C 0.283 175.803 175.510 0.016 0.000 1.146 35 N CA 0.716 53.756 53.050 -0.017 0.000 0.980 35 N CB 1.392 39.864 38.487 -0.025 0.000 1.124 35 N HN 0.273 nan 8.380 nan 0.000 0.458 36 A N 3.104 125.942 122.820 0.031 0.000 2.362 36 A HA 0.497 4.817 4.320 0.000 0.000 0.276 36 A C 0.019 177.634 177.584 0.052 0.000 1.153 36 A CA -0.374 51.689 52.037 0.044 0.000 0.813 36 A CB -0.056 18.970 19.000 0.043 0.000 1.081 36 A HN 0.632 nan 8.150 nan 0.000 0.507 37 L N 1.700 122.963 121.223 0.068 0.000 2.334 37 L HA 0.662 5.002 4.340 0.000 0.000 0.270 37 L C 0.268 177.176 176.870 0.062 0.000 1.018 37 L CA -0.570 54.322 54.840 0.087 0.000 0.811 37 L CB 1.537 43.676 42.059 0.134 0.000 1.271 37 L HN 0.715 nan 8.230 nan 0.000 0.443 38 E N 1.105 121.338 120.200 0.055 0.000 2.317 38 E HA 0.646 4.996 4.350 0.000 0.000 0.270 38 E C -1.472 175.143 176.600 0.026 0.000 0.885 38 E CA -0.667 55.754 56.400 0.036 0.000 0.760 38 E CB 3.251 32.968 29.700 0.030 0.000 1.227 38 E HN 0.380 nan 8.360 nan 0.000 0.434 39 I N 2.486 123.067 120.570 0.018 0.000 2.478 39 I HA 0.172 4.342 4.170 0.000 0.000 0.287 39 I C -0.695 175.427 176.117 0.007 0.000 1.042 39 I CA -0.903 60.403 61.300 0.009 0.000 1.067 39 I CB 1.765 39.769 38.000 0.006 0.000 1.233 39 I HN 0.269 nan 8.210 nan 0.000 0.431 40 K N 5.770 126.172 120.400 0.004 0.000 2.307 40 K HA 0.174 4.494 4.320 0.000 0.000 0.285 40 K C -0.001 176.600 176.600 0.002 0.000 1.073 40 K CA -0.047 56.242 56.287 0.003 0.000 0.996 40 K CB 0.210 32.711 32.500 0.002 0.000 0.994 40 K HN 0.652 nan 8.250 nan 0.000 0.452 41 T N 1.836 116.391 114.554 0.003 0.000 2.934 41 T HA 0.367 4.717 4.350 0.000 0.000 0.283 41 T C -1.486 173.215 174.700 0.001 0.000 1.005 41 T CA -1.889 60.212 62.100 0.002 0.000 1.041 41 T CB 1.228 70.099 68.868 0.003 0.000 1.042 41 T HN 0.353 nan 8.240 nan 0.000 0.505 42 P HA -0.029 nan 4.420 nan 0.000 0.216 42 P C 1.928 179.228 177.300 0.001 0.000 1.150 42 P CA 1.877 64.977 63.100 0.000 0.000 0.843 42 P CB -0.124 31.576 31.700 -0.000 0.000 0.787 43 Q N -0.926 118.874 119.800 0.001 0.000 2.159 43 Q HA 0.347 4.687 4.340 0.000 0.000 0.194 43 Q C 1.926 177.927 176.000 0.002 0.000 0.968 43 Q CA 1.534 57.338 55.803 0.001 0.000 0.837 43 Q CB -1.111 27.628 28.738 0.001 0.000 0.920 43 Q HN 0.342 nan 8.270 nan 0.000 0.485 44 G N -0.428 108.373 108.800 0.003 0.000 2.825 44 G HA2 0.442 4.402 3.960 0.000 0.000 0.191 44 G HA3 0.442 4.402 3.960 0.000 0.000 0.191 44 G C -0.179 174.724 174.900 0.004 0.000 1.708 44 G CA 0.515 45.617 45.100 0.003 0.000 0.813 44 G HN 0.720 nan 8.290 nan 0.000 0.799 45 K N -1.142 119.262 120.400 0.006 0.000 2.555 45 K HA 0.734 5.054 4.320 0.000 0.000 0.279 45 K C -2.175 174.431 176.600 0.011 0.000 0.986 45 K CA -0.892 55.400 56.287 0.008 0.000 0.880 45 K CB 2.270 34.776 32.500 0.009 0.000 1.474 45 K HN 0.502 nan 8.250 nan 0.000 0.433 46 L N 1.649 122.879 121.223 0.013 0.000 2.342 46 L HA 0.419 4.759 4.340 0.000 0.000 0.276 46 L C -1.596 175.288 176.870 0.022 0.000 0.997 46 L CA -0.498 54.352 54.840 0.016 0.000 0.838 46 L CB 1.900 43.967 42.059 0.014 0.000 1.224 46 L HN 0.549 nan 8.230 nan 0.000 0.416 47 V N 6.264 126.193 119.914 0.025 0.000 2.432 47 V HA 0.440 4.560 4.120 0.000 0.000 0.275 47 V C 0.109 176.226 176.094 0.037 0.000 1.043 47 V CA -0.432 61.887 62.300 0.032 0.000 0.925 47 V CB 1.169 33.010 31.823 0.030 0.000 0.985 47 V HN 0.603 nan 8.190 nan 0.000 0.466 48 L N 4.122 125.372 121.223 0.045 0.000 2.365 48 L HA 0.629 4.969 4.340 0.000 0.000 0.273 48 L C -0.069 176.835 176.870 0.056 0.000 1.000 48 L CA -0.472 54.398 54.840 0.051 0.000 0.819 48 L CB 2.105 44.198 42.059 0.057 0.000 1.284 48 L HN 0.676 nan 8.230 nan 0.000 0.418 49 E N 2.342 122.574 120.200 0.054 0.000 2.175 49 E HA 0.368 4.718 4.350 0.000 0.000 0.278 49 E C -1.048 175.576 176.600 0.040 0.000 0.969 49 E CA -0.774 55.656 56.400 0.049 0.000 0.796 49 E CB 1.921 31.659 29.700 0.064 0.000 1.104 49 E HN 0.366 nan 8.360 nan 0.000 0.395 50 V N 4.330 124.262 119.914 0.030 0.000 2.529 50 V HA 0.067 4.187 4.120 0.000 0.000 0.292 50 V C 0.986 177.078 176.094 -0.004 0.000 1.028 50 V CA 0.873 63.192 62.300 0.032 0.000 1.074 50 V CB 0.665 32.506 31.823 0.030 0.000 0.958 50 V HN 0.898 nan 8.190 nan 0.000 0.481 51 A N 4.317 127.142 122.820 0.010 0.000 1.963 51 A HA 0.309 4.629 4.320 0.000 0.000 0.207 51 A C 0.675 178.239 177.584 -0.033 0.000 1.243 51 A CA 0.380 52.408 52.037 -0.014 0.000 0.728 51 A CB 0.272 19.275 19.000 0.005 0.000 0.895 51 A HN 0.853 nan 8.150 nan 0.000 0.467 52 Q N -1.498 118.303 119.800 0.001 0.000 2.522 52 Q HA 0.400 4.741 4.340 0.000 0.000 0.285 52 Q C -1.636 174.435 176.000 0.118 0.000 0.982 52 Q CA -0.650 55.147 55.803 -0.010 0.000 0.805 52 Q CB 1.130 29.871 28.738 0.006 0.000 1.457 52 Q HN 0.550 nan 8.270 nan 0.000 0.394 53 H N 1.182 120.247 119.070 -0.009 0.000 2.652 53 H HA 0.225 4.781 4.556 0.000 0.000 0.298 53 H C 0.473 175.808 175.328 0.012 0.000 1.076 53 H CA -0.374 55.673 56.048 -0.001 0.000 1.360 53 H CB 1.077 30.829 29.762 -0.017 0.000 1.421 53 H HN 0.439 nan 8.280 nan 0.000 0.464 54 L N 2.897 124.205 121.223 0.141 0.000 2.240 54 L HA 0.151 4.491 4.340 0.000 0.000 0.211 54 L C 1.095 178.009 176.870 0.074 0.000 1.106 54 L CA 0.640 55.533 54.840 0.089 0.000 0.793 54 L CB 0.053 42.158 42.059 0.077 0.000 0.927 54 L HN 0.909 nan 8.230 nan 0.000 0.446 55 G N -0.161 108.682 108.800 0.072 0.000 2.484 55 G HA2 -0.079 3.881 3.960 0.000 0.000 0.685 55 G HA3 -0.079 3.881 3.960 0.000 0.000 0.685 55 G C -0.384 174.548 174.900 0.054 0.000 1.294 55 G CA -0.674 44.457 45.100 0.052 0.000 0.879 55 G HN 0.254 nan 8.290 nan 0.000 0.646 56 E N 0.347 120.575 120.200 0.048 0.000 2.230 56 E HA -0.268 4.082 4.350 0.000 0.000 0.206 56 E C 0.714 177.390 176.600 0.127 0.000 1.309 56 E CA 0.594 57.040 56.400 0.077 0.000 0.697 56 E CB -1.076 28.671 29.700 0.080 0.000 1.146 56 E HN 1.172 nan 8.360 nan 0.000 0.363 57 N N -1.815 116.903 118.700 0.031 0.000 2.678 57 N HA -0.168 4.572 4.740 0.000 0.000 0.250 57 N C -0.568 174.954 175.510 0.020 0.000 1.136 57 N CA 2.098 55.116 53.050 -0.054 0.000 0.757 57 N CB -1.226 37.160 38.487 -0.168 0.000 1.135 57 N HN 0.454 nan 8.380 nan 0.000 0.565 58 T N -0.475 114.153 114.554 0.124 0.000 2.895 58 T HA 0.692 5.042 4.350 0.000 0.000 0.283 58 T C 0.503 175.275 174.700 0.120 0.000 1.014 58 T CA -0.656 61.547 62.100 0.171 0.000 1.037 58 T CB 2.509 71.484 68.868 0.179 0.000 1.006 58 T HN 0.138 nan 8.240 nan 0.000 0.468 59 V N 0.698 120.716 119.914 0.173 0.000 2.823 59 V HA 0.774 4.894 4.120 0.000 0.000 0.312 59 V C -0.477 175.704 176.094 0.145 0.000 1.072 59 V CA -1.456 60.947 62.300 0.171 0.000 0.937 59 V CB 1.800 33.742 31.823 0.199 0.000 1.013 59 V HN 0.843 nan 8.190 nan 0.000 0.430 60 R N 2.279 122.849 120.500 0.117 0.000 2.346 60 R HA 0.749 5.090 4.340 0.000 0.000 0.311 60 R C -0.163 176.181 176.300 0.074 0.000 0.983 60 R CA 0.450 56.599 56.100 0.082 0.000 0.880 60 R CB 1.401 31.737 30.300 0.061 0.000 1.100 60 R HN 1.206 nan 8.270 nan 0.000 0.453 61 T N 1.679 116.273 114.554 0.066 0.000 2.906 61 T HA 0.532 4.882 4.350 0.000 0.000 0.295 61 T C -0.268 174.458 174.700 0.044 0.000 1.061 61 T CA -0.911 61.225 62.100 0.059 0.000 1.000 61 T CB 1.069 69.983 68.868 0.077 0.000 1.103 61 T HN 0.418 nan 8.240 nan 0.000 0.486 62 I N 2.188 122.782 120.570 0.039 0.000 2.336 62 I HA 0.618 4.788 4.170 0.000 0.000 0.292 62 I C 0.860 176.998 176.117 0.036 0.000 0.991 62 I CA -1.078 60.241 61.300 0.033 0.000 1.227 62 I CB 1.333 39.351 38.000 0.030 0.000 1.366 62 I HN 0.938 nan 8.210 nan 0.000 0.466 63 A N 7.082 129.920 122.820 0.030 0.000 2.407 63 A HA 0.431 4.751 4.320 0.000 0.000 0.248 63 A C 0.785 178.387 177.584 0.029 0.000 1.082 63 A CA -0.168 51.886 52.037 0.029 0.000 0.785 63 A CB 0.329 19.342 19.000 0.023 0.000 1.020 63 A HN 0.782 nan 8.150 nan 0.000 0.489 64 M N 0.804 120.422 119.600 0.030 0.000 2.383 64 M HA 0.250 4.730 4.480 0.000 0.000 0.247 64 M C -0.303 176.012 176.300 0.025 0.000 1.117 64 M CA 0.322 55.639 55.300 0.030 0.000 0.995 64 M CB -0.938 31.681 32.600 0.033 0.000 1.480 64 M HN 0.761 nan 8.290 nan 0.000 0.485 65 D N -0.921 119.492 120.400 0.021 0.000 2.665 65 D HA 0.475 5.115 4.640 0.000 0.000 0.287 65 D C -0.529 175.780 176.300 0.015 0.000 1.266 65 D CA -0.152 53.859 54.000 0.017 0.000 0.830 65 D CB 1.449 42.258 40.800 0.016 0.000 1.356 65 D HN 0.126 nan 8.370 nan 0.000 0.437 66 G N -0.760 108.047 108.800 0.012 0.000 2.414 66 G HA2 0.328 4.288 3.960 0.000 0.000 0.236 66 G HA3 0.328 4.288 3.960 0.000 0.000 0.236 66 G C 0.813 175.719 174.900 0.009 0.000 1.293 66 G CA 0.636 45.741 45.100 0.009 0.000 0.869 66 G HN 0.408 nan 8.290 nan 0.000 0.556 67 T N -1.252 113.306 114.554 0.008 0.000 3.092 67 T HA 0.162 4.512 4.350 0.000 0.000 0.258 67 T C 0.686 175.388 174.700 0.005 0.000 1.031 67 T CA -0.095 62.009 62.100 0.007 0.000 0.925 67 T CB 0.067 68.940 68.868 0.009 0.000 1.036 67 T HN 0.649 nan 8.240 nan 0.000 0.544 68 E N 1.867 122.070 120.200 0.004 0.000 2.465 68 E HA 0.296 4.646 4.350 0.000 0.000 0.260 68 E C 1.089 177.690 176.600 0.002 0.000 0.980 68 E CA 0.697 57.098 56.400 0.002 0.000 0.927 68 E CB 0.144 29.845 29.700 0.002 0.000 0.934 68 E HN 0.509 nan 8.360 nan 0.000 0.459 69 G N 2.962 111.762 108.800 0.000 0.000 2.176 69 G HA2 -0.246 3.714 3.960 0.000 0.000 0.232 69 G HA3 -0.246 3.714 3.960 0.000 0.000 0.232 69 G C 0.207 175.106 174.900 -0.002 0.000 0.986 69 G CA 0.044 45.144 45.100 -0.001 0.000 0.643 69 G HN 0.505 nan 8.290 nan 0.000 0.522 70 L N 1.085 122.308 121.223 -0.001 0.000 2.426 70 L HA 0.497 4.837 4.340 0.000 0.000 0.271 70 L C 0.400 177.267 176.870 -0.005 0.000 1.169 70 L CA -0.119 54.719 54.840 -0.002 0.000 0.836 70 L CB 1.323 43.382 42.059 -0.000 0.000 1.112 70 L HN 0.001 nan 8.230 nan 0.000 0.465 71 V N 4.580 124.489 119.914 -0.008 0.000 2.540 71 V HA 0.371 4.491 4.120 0.000 0.000 0.302 71 V C 0.179 176.264 176.094 -0.014 0.000 1.035 71 V CA -0.885 61.408 62.300 -0.010 0.000 0.873 71 V CB 1.979 33.796 31.823 -0.011 0.000 0.992 71 V HN 0.720 nan 8.190 nan 0.000 0.428 72 R N 2.274 122.765 120.500 -0.015 0.000 2.698 72 R HA 0.343 4.684 4.340 0.000 0.000 0.266 72 R C 1.423 177.709 176.300 -0.025 0.000 1.026 72 R CA 1.204 57.292 56.100 -0.020 0.000 1.102 72 R CB 0.089 30.377 30.300 -0.020 0.000 0.978 72 R HN 1.195 nan 8.270 nan 0.000 0.436 73 G N 1.306 110.086 108.800 -0.032 0.000 2.212 73 G HA2 -0.370 3.590 3.960 0.000 0.000 0.266 73 G HA3 -0.370 3.590 3.960 0.000 0.000 0.266 73 G C 0.125 175.003 174.900 -0.037 0.000 0.978 73 G CA 0.449 45.528 45.100 -0.036 0.000 0.632 73 G HN 0.637 nan 8.290 nan 0.000 0.537 74 E N 1.019 121.200 120.200 -0.033 0.000 2.452 74 E HA 0.385 4.735 4.350 0.000 0.000 0.261 74 E C 0.668 177.242 176.600 -0.045 0.000 0.987 74 E CA 0.055 56.436 56.400 -0.031 0.000 0.926 74 E CB 0.277 29.963 29.700 -0.023 0.000 0.934 74 E HN 0.361 nan 8.360 nan 0.000 0.452 75 K N 2.355 122.730 120.400 -0.041 0.000 2.322 75 K HA 0.221 4.541 4.320 0.000 0.000 0.283 75 K C -1.199 175.372 176.600 -0.049 0.000 1.042 75 K CA -0.346 55.909 56.287 -0.054 0.000 0.958 75 K CB 0.989 33.465 32.500 -0.039 0.000 0.984 75 K HN 0.233 nan 8.250 nan 0.000 0.473 76 V N 5.157 125.025 119.914 -0.078 0.000 2.443 76 V HA 0.235 4.355 4.120 0.000 0.000 0.293 76 V C -0.958 175.128 176.094 -0.014 0.000 1.021 76 V CA -1.029 61.243 62.300 -0.047 0.000 0.848 76 V CB 1.286 33.070 31.823 -0.066 0.000 0.998 76 V HN 0.546 nan 8.190 nan 0.000 0.424 77 L N 3.846 125.089 121.223 0.034 0.000 2.272 77 L HA 0.693 5.033 4.340 0.000 0.000 0.289 77 L C -0.174 176.761 176.870 0.108 0.000 1.032 77 L CA 0.145 55.026 54.840 0.068 0.000 0.810 77 L CB 1.302 43.386 42.059 0.041 0.000 1.205 77 L HN 0.738 nan 8.230 nan 0.000 0.422 78 D N 2.184 122.683 120.400 0.164 0.000 2.390 78 D HA 0.125 4.765 4.640 0.000 0.000 0.249 78 D C 1.121 177.461 176.300 0.066 0.000 1.144 78 D CA 0.567 54.644 54.000 0.128 0.000 0.880 78 D CB 1.416 42.288 40.800 0.119 0.000 1.182 78 D HN 0.768 nan 8.370 nan 0.000 0.451 79 T N 0.908 115.490 114.554 0.046 0.000 3.081 79 T HA 0.222 4.572 4.350 0.000 0.000 0.255 79 T C 1.603 176.312 174.700 0.015 0.000 1.113 79 T CA 0.505 62.622 62.100 0.028 0.000 1.082 79 T CB -0.287 68.596 68.868 0.025 0.000 0.939 79 T HN 0.830 nan 8.240 nan 0.000 0.506 80 G N 0.041 108.846 108.800 0.008 0.000 2.148 80 G HA2 0.092 4.052 3.960 0.000 0.000 0.254 80 G HA3 0.092 4.052 3.960 0.000 0.000 0.254 80 G C 0.360 175.255 174.900 -0.007 0.000 0.981 80 G CA -0.140 44.955 45.100 -0.008 0.000 0.670 80 G HN 1.288 nan 8.290 nan 0.000 0.528 81 G N -1.286 107.514 108.800 0.000 0.000 2.684 81 G HA2 0.762 4.722 3.960 0.000 0.000 0.290 81 G HA3 0.762 4.722 3.960 0.000 0.000 0.290 81 G C -3.221 171.687 174.900 0.013 0.000 1.425 81 G CA -0.801 44.301 45.100 0.003 0.000 0.822 81 G HN 0.137 nan 8.290 nan 0.000 0.482 82 P HA 0.247 nan 4.420 nan 0.000 0.272 82 P C 0.396 177.735 177.300 0.065 0.000 1.230 82 P CA -0.375 62.762 63.100 0.061 0.000 0.788 82 P CB 0.599 32.366 31.700 0.113 0.000 0.949 83 I N 0.625 121.244 120.570 0.082 0.000 3.114 83 I HA -0.159 4.011 4.170 0.000 0.000 0.320 83 I C 0.834 176.968 176.117 0.028 0.000 1.230 83 I CA 1.174 62.505 61.300 0.052 0.000 1.440 83 I CB -0.456 37.578 38.000 0.057 0.000 1.334 83 I HN 0.261 nan 8.210 nan 0.000 0.532 84 S N 5.630 121.335 115.700 0.008 0.000 2.541 84 S HA 0.616 5.086 4.470 0.000 0.000 0.283 84 S C -0.295 174.286 174.600 -0.031 0.000 1.196 84 S CA -0.774 57.419 58.200 -0.013 0.000 1.062 84 S CB 1.602 64.793 63.200 -0.015 0.000 1.009 84 S HN 0.461 nan 8.310 nan 0.000 0.502 85 V N 1.595 121.477 119.914 -0.054 0.000 2.769 85 V HA 0.737 4.857 4.120 0.000 0.000 0.312 85 V C -2.795 173.232 176.094 -0.112 0.000 1.061 85 V CA -2.958 59.298 62.300 -0.074 0.000 0.931 85 V CB 1.473 33.250 31.823 -0.077 0.000 1.010 85 V HN 0.617 nan 8.190 nan 0.000 0.433 86 P HA 0.265 nan 4.420 nan 0.000 0.268 86 P C -0.193 176.959 177.300 -0.246 0.000 1.204 86 P CA 0.248 63.251 63.100 -0.162 0.000 0.768 86 P CB 1.346 32.974 31.700 -0.119 0.000 0.842 87 V N -0.544 119.133 119.914 -0.394 0.000 3.184 87 V HA 0.959 5.079 4.120 0.000 0.000 0.308 87 V C 0.435 176.079 176.094 -0.751 0.000 1.243 87 V CA -0.207 61.694 62.300 -0.665 0.000 1.058 87 V CB 0.630 31.862 31.823 -0.986 0.000 1.183 87 V HN 0.966 nan 8.190 nan 0.000 0.471 88 G N 0.293 108.476 108.800 -1.028 0.000 2.741 88 G HA2 -0.195 3.766 3.960 0.000 0.000 0.222 88 G HA3 -0.195 3.766 3.960 0.000 0.000 0.222 88 G C 0.246 175.081 174.900 -0.108 0.000 1.364 88 G CA 0.426 45.240 45.100 -0.475 0.000 0.866 88 G HN 0.987 nan 8.290 nan 0.000 0.555 89 R N 0.268 120.822 120.500 0.090 0.000 2.328 89 R HA -0.019 4.321 4.340 0.000 0.000 0.207 89 R C 1.571 177.860 176.300 -0.018 0.000 1.056 89 R CA 1.222 57.359 56.100 0.062 0.000 1.016 89 R CB -0.068 30.296 30.300 0.105 0.000 0.872 89 R HN 0.538 nan 8.270 nan 0.000 0.471 90 E N -0.363 119.816 120.200 -0.035 0.000 2.489 90 E HA -0.033 4.317 4.350 0.000 0.000 0.193 90 E C 1.282 177.856 176.600 -0.042 0.000 1.057 90 E CA 0.746 57.124 56.400 -0.037 0.000 0.866 90 E CB 0.555 30.228 29.700 -0.044 0.000 0.916 90 E HN 0.396 nan 8.360 nan 0.000 0.500 91 T N -1.972 112.556 114.554 -0.044 0.000 3.037 91 T HA 0.160 4.510 4.350 0.000 0.000 0.252 91 T C 1.204 175.901 174.700 -0.006 0.000 1.073 91 T CA -0.212 61.871 62.100 -0.029 0.000 1.091 91 T CB 0.049 68.895 68.868 -0.037 0.000 0.935 91 T HN -0.064 nan 8.240 nan 0.000 0.488 92 L N 1.834 123.040 121.223 -0.029 0.000 2.483 92 L HA 0.438 4.778 4.340 0.000 0.000 0.276 92 L C 1.803 178.677 176.870 0.006 0.000 1.213 92 L CA 0.827 55.642 54.840 -0.042 0.000 0.843 92 L CB -0.171 41.805 42.059 -0.139 0.000 1.107 92 L HN 0.492 nan 8.230 nan 0.000 0.487 93 G N 0.919 109.743 108.800 0.039 0.000 2.205 93 G HA2 -0.257 3.703 3.960 0.000 0.000 0.269 93 G HA3 -0.257 3.703 3.960 0.000 0.000 0.269 93 G C 0.391 175.350 174.900 0.098 0.000 0.977 93 G CA 0.065 45.213 45.100 0.081 0.000 0.652 93 G HN 0.452 nan 8.290 nan 0.000 0.539 94 R N -0.409 120.123 120.500 0.054 0.000 2.598 94 R HA 0.724 5.064 4.340 0.000 0.000 0.279 94 R C 0.322 176.622 176.300 0.000 0.000 0.984 94 R CA -1.141 54.976 56.100 0.028 0.000 0.999 94 R CB 0.898 31.201 30.300 0.006 0.000 1.114 94 R HN 0.257 nan 8.270 nan 0.000 0.493 95 I N 3.155 123.696 120.570 -0.048 0.000 2.354 95 I HA 0.362 4.532 4.170 0.000 0.000 0.292 95 I C -0.223 175.887 176.117 -0.011 0.000 0.989 95 I CA -0.654 60.617 61.300 -0.047 0.000 1.188 95 I CB 1.131 39.033 38.000 -0.164 0.000 1.342 95 I HN 0.286 nan 8.210 nan 0.000 0.457 96 I N 5.697 126.275 120.570 0.015 0.000 2.846 96 I HA 0.418 4.588 4.170 0.000 0.000 0.307 96 I C -0.204 175.933 176.117 0.033 0.000 1.053 96 I CA -0.474 60.830 61.300 0.007 0.000 1.050 96 I CB 1.781 39.772 38.000 -0.014 0.000 1.239 96 I HN 0.613 nan 8.210 nan 0.000 0.439 97 N N 2.159 120.873 118.700 0.024 0.000 2.619 97 N HA 0.307 5.047 4.740 0.000 0.000 0.294 97 N C 0.537 176.058 175.510 0.018 0.000 1.279 97 N CA -0.896 52.177 53.050 0.038 0.000 0.867 97 N CB 0.469 38.979 38.487 0.039 0.000 1.329 97 N HN 0.341 nan 8.380 nan 0.000 0.557 98 V N -0.120 119.809 119.914 0.025 0.000 2.370 98 V HA -0.211 3.909 4.120 0.000 0.000 0.252 98 V C 1.542 177.639 176.094 0.004 0.000 1.068 98 V CA 2.372 64.680 62.300 0.013 0.000 1.061 98 V CB -0.850 30.988 31.823 0.026 0.000 0.656 98 V HN 0.681 nan 8.190 nan 0.000 0.455 99 I N -2.485 118.090 120.570 0.007 0.000 3.875 99 I HA 0.543 4.713 4.170 0.000 0.000 0.329 99 I C 1.348 177.461 176.117 -0.007 0.000 1.295 99 I CA 0.675 61.977 61.300 0.004 0.000 1.129 99 I CB -0.022 37.985 38.000 0.012 0.000 1.008 99 I HN 0.299 nan 8.210 nan 0.000 0.413 100 G N 0.910 109.702 108.800 -0.012 0.000 2.157 100 G HA2 -0.238 3.722 3.960 0.000 0.000 0.239 100 G HA3 -0.238 3.722 3.960 0.000 0.000 0.239 100 G C -0.087 174.801 174.900 -0.020 0.000 0.982 100 G CA -0.077 45.009 45.100 -0.024 0.000 0.650 100 G HN 0.591 nan 8.290 nan 0.000 0.527 101 E N 1.687 121.881 120.200 -0.010 0.000 2.343 101 E HA 0.407 4.757 4.350 0.000 0.000 0.269 101 E C -2.148 174.447 176.600 -0.009 0.000 1.047 101 E CA -1.715 54.679 56.400 -0.009 0.000 0.874 101 E CB 1.224 30.922 29.700 -0.004 0.000 1.033 101 E HN 0.187 nan 8.360 nan 0.000 0.409 102 P HA 0.047 nan 4.420 nan 0.000 0.275 102 P C -0.061 177.230 177.300 -0.015 0.000 1.227 102 P CA 0.339 63.431 63.100 -0.014 0.000 0.781 102 P CB 0.319 32.012 31.700 -0.013 0.000 0.906 103 I N -0.702 119.853 120.570 -0.025 0.000 3.491 103 I HA 0.300 4.470 4.170 0.000 0.000 0.332 103 I C -0.026 176.048 176.117 -0.072 0.000 1.565 103 I CA -0.328 60.951 61.300 -0.036 0.000 1.050 103 I CB 0.135 38.121 38.000 -0.024 0.000 1.348 103 I HN 0.050 nan 8.210 nan 0.000 0.506 104 D N 0.234 120.596 120.400 -0.062 0.000 2.469 104 D HA 0.033 4.673 4.640 0.000 0.000 0.213 104 D C 0.403 176.706 176.300 0.005 0.000 1.135 104 D CA -0.135 53.824 54.000 -0.068 0.000 0.834 104 D CB -0.012 40.739 40.800 -0.082 0.000 1.009 104 D HN 0.457 nan 8.370 nan 0.000 0.507 105 E N 0.193 120.393 120.200 -0.000 0.000 2.637 105 E HA -0.230 4.120 4.350 0.000 0.000 0.265 105 E C -0.143 176.468 176.600 0.020 0.000 1.073 105 E CA 0.301 56.707 56.400 0.011 0.000 0.778 105 E CB -1.206 28.503 29.700 0.015 0.000 1.362 105 E HN 0.428 nan 8.360 nan 0.000 0.413 106 R N 0.081 120.593 120.500 0.019 0.000 2.700 106 R HA 0.320 4.660 4.340 0.000 0.000 0.377 106 R C 0.785 177.093 176.300 0.013 0.000 1.130 106 R CA 0.226 56.340 56.100 0.024 0.000 1.055 106 R CB 1.094 31.417 30.300 0.039 0.000 1.387 106 R HN 0.303 nan 8.270 nan 0.000 0.580 107 G N 2.226 111.030 108.800 0.008 0.000 2.750 107 G HA2 -0.254 3.706 3.960 0.000 0.000 0.228 107 G HA3 -0.254 3.706 3.960 0.000 0.000 0.228 107 G C -2.358 172.542 174.900 -0.001 0.000 1.367 107 G CA -1.203 43.898 45.100 0.003 0.000 0.871 107 G HN 0.104 nan 8.290 nan 0.000 0.560 108 P HA 0.221 nan 4.420 nan 0.000 0.266 108 P C 0.387 177.680 177.300 -0.011 0.000 1.186 108 P CA 0.140 63.235 63.100 -0.008 0.000 0.767 108 P CB 0.245 31.940 31.700 -0.008 0.000 0.820 109 I N 3.049 123.608 120.570 -0.019 0.000 2.224 109 I HA 0.055 4.225 4.170 0.000 0.000 0.293 109 I C 0.707 176.804 176.117 -0.033 0.000 1.155 109 I CA -0.101 61.183 61.300 -0.027 0.000 1.297 109 I CB -0.427 37.551 38.000 -0.037 0.000 1.487 109 I HN 0.100 nan 8.210 nan 0.000 0.564 110 K N 4.700 125.086 120.400 -0.024 0.000 2.245 110 K HA 0.128 4.448 4.320 0.000 0.000 0.281 110 K C 0.186 176.767 176.600 -0.031 0.000 1.079 110 K CA -0.051 56.222 56.287 -0.022 0.000 1.000 110 K CB 0.139 32.632 32.500 -0.012 0.000 1.038 110 K HN 0.589 nan 8.250 nan 0.000 0.430 111 S N 1.084 116.757 115.700 -0.046 0.000 2.618 111 S HA 0.320 4.790 4.470 0.000 0.000 0.277 111 S C 0.502 175.067 174.600 -0.058 0.000 1.138 111 S CA -1.073 57.090 58.200 -0.060 0.000 0.844 111 S CB 1.763 64.900 63.200 -0.105 0.000 1.127 111 S HN 0.431 nan 8.310 nan 0.000 0.474 112 K N -0.064 120.303 120.400 -0.054 0.000 2.057 112 K HA 0.214 4.535 4.320 0.000 0.000 0.206 112 K C 0.060 176.629 176.600 -0.052 0.000 1.050 112 K CA 1.018 57.283 56.287 -0.037 0.000 0.935 112 K CB -0.292 32.202 32.500 -0.009 0.000 0.715 112 K HN 0.466 nan 8.250 nan 0.000 0.439 113 L N 0.714 121.877 121.223 -0.100 0.000 2.346 113 L HA 0.364 4.705 4.340 0.000 0.000 0.274 113 L C -0.697 176.086 176.870 -0.146 0.000 1.007 113 L CA -0.782 53.995 54.840 -0.105 0.000 0.818 113 L CB 2.017 44.021 42.059 -0.091 0.000 1.284 113 L HN -0.034 nan 8.230 nan 0.000 0.424 114 R N 2.870 123.313 120.500 -0.095 0.000 2.476 114 R HA 0.457 4.797 4.340 0.000 0.000 0.305 114 R C -1.064 175.197 176.300 -0.064 0.000 0.965 114 R CA -0.820 55.225 56.100 -0.093 0.000 0.867 114 R CB 2.200 32.463 30.300 -0.062 0.000 1.176 114 R HN 0.420 nan 8.270 nan 0.000 0.447 115 K N 3.299 123.654 120.400 -0.073 0.000 2.118 115 K HA 0.429 4.749 4.320 0.000 0.000 0.254 115 K C -2.333 174.252 176.600 -0.024 0.000 0.961 115 K CA -2.124 54.143 56.287 -0.033 0.000 0.876 115 K CB 1.714 34.202 32.500 -0.020 0.000 1.077 115 K HN 0.269 nan 8.250 nan 0.000 0.440 116 P HA 0.036 nan 4.420 nan 0.000 0.271 116 P C 0.555 177.853 177.300 -0.004 0.000 1.216 116 P CA 0.067 63.177 63.100 0.017 0.000 0.776 116 P CB 0.307 32.033 31.700 0.042 0.000 0.881 117 I N -0.868 119.688 120.570 -0.023 0.000 3.111 117 I HA 0.062 4.232 4.170 0.000 0.000 0.272 117 I C 0.555 176.533 176.117 -0.232 0.000 1.268 117 I CA 0.604 61.827 61.300 -0.127 0.000 1.467 117 I CB -0.644 37.258 38.000 -0.163 0.000 1.087 117 I HN 0.234 nan 8.210 nan 0.000 0.467 118 H N 2.510 121.571 119.070 -0.015 0.000 2.488 118 H HA 0.806 5.362 4.556 0.000 0.000 0.322 118 H C -0.594 174.727 175.328 -0.013 0.000 1.078 118 H CA -0.260 55.781 56.048 -0.012 0.000 1.260 118 H CB 1.737 31.494 29.762 -0.007 0.000 1.425 118 H HN 0.396 nan 8.280 nan 0.000 0.471 119 A N 3.470 126.340 122.820 0.084 0.000 2.594 119 A HA 0.209 4.529 4.320 0.000 0.000 0.296 119 A C -1.052 176.552 177.584 0.034 0.000 1.061 119 A CA -0.979 51.086 52.037 0.047 0.000 0.689 119 A CB 1.305 20.317 19.000 0.020 0.000 1.280 119 A HN 0.581 nan 8.150 nan 0.000 0.406 120 D N 3.469 123.886 120.400 0.029 0.000 2.425 120 D HA 0.316 4.956 4.640 0.000 0.000 0.247 120 D C -1.873 174.437 176.300 0.017 0.000 1.147 120 D CA -0.002 54.013 54.000 0.025 0.000 0.879 120 D CB 0.612 41.425 40.800 0.022 0.000 1.179 120 D HN 0.349 nan 8.370 nan 0.000 0.456 121 P HA 0.080 nan 4.420 nan 0.000 0.269 121 P C -2.480 174.831 177.300 0.017 0.000 1.211 121 P CA -0.823 62.285 63.100 0.013 0.000 0.781 121 P CB -0.499 31.215 31.700 0.024 0.000 0.877 122 P HA 0.019 nan 4.420 nan 0.000 0.269 122 P C 0.301 177.616 177.300 0.025 0.000 1.215 122 P CA 0.115 63.220 63.100 0.008 0.000 0.780 122 P CB 0.175 31.872 31.700 -0.007 0.000 0.898 123 S N 1.380 117.096 115.700 0.027 0.000 2.624 123 S HA 0.124 4.595 4.470 0.000 0.000 0.263 123 S C 0.940 175.588 174.600 0.079 0.000 1.287 123 S CA -0.406 57.832 58.200 0.063 0.000 0.990 123 S CB -0.084 63.152 63.200 0.059 0.000 0.950 123 S HN 0.425 nan 8.310 nan 0.000 0.561 124 F N 1.305 121.255 119.950 -0.001 0.000 2.202 124 F HA 0.045 4.572 4.527 0.000 0.000 0.301 124 F C 2.118 177.916 175.800 -0.003 0.000 1.082 124 F CA 1.416 59.415 58.000 -0.002 0.000 1.313 124 F CB -0.727 38.271 39.000 -0.003 0.000 1.024 124 F HN 0.685 nan 8.300 nan 0.000 0.495 125 A N -0.641 122.150 122.820 -0.048 0.000 2.278 125 A HA 0.116 4.436 4.320 0.000 0.000 0.212 125 A C 1.651 179.158 177.584 -0.128 0.000 1.213 125 A CA 0.438 52.396 52.037 -0.131 0.000 0.840 125 A CB -0.641 18.376 19.000 0.029 0.000 0.866 125 A HN 0.549 nan 8.150 nan 0.000 0.489 126 E N -0.234 119.897 120.200 -0.114 0.000 2.498 126 E HA 0.050 4.400 4.350 0.000 0.000 0.203 126 E C -0.219 176.316 176.600 -0.108 0.000 1.013 126 E CA -0.216 56.132 56.400 -0.085 0.000 0.927 126 E CB 0.280 29.955 29.700 -0.042 0.000 1.012 126 E HN 0.479 nan 8.360 nan 0.000 0.482 127 Q N 0.457 120.152 119.800 -0.176 0.000 2.327 127 Q HA 0.199 4.539 4.340 0.000 0.000 0.254 127 Q C -0.370 175.544 176.000 -0.143 0.000 0.952 127 Q CA 0.180 55.888 55.803 -0.160 0.000 0.884 127 Q CB 1.780 30.386 28.738 -0.220 0.000 1.224 127 Q HN -0.088 nan 8.270 nan 0.000 0.422 128 S N 1.518 117.161 115.700 -0.094 0.000 2.539 128 S HA 0.270 4.740 4.470 0.000 0.000 0.235 128 S C -0.477 174.089 174.600 -0.057 0.000 1.326 128 S CA -0.567 57.588 58.200 -0.075 0.000 1.183 128 S CB 0.154 63.320 63.200 -0.056 0.000 1.073 128 S HN 0.593 nan 8.310 nan 0.000 0.480 129 T N 1.448 115.967 114.554 -0.059 0.000 2.882 129 T HA 0.727 5.077 4.350 0.000 0.000 0.287 129 T C -0.154 174.528 174.700 -0.031 0.000 1.014 129 T CA -0.475 61.601 62.100 -0.041 0.000 1.049 129 T CB 1.172 70.017 68.868 -0.039 0.000 1.001 129 T HN 0.978 nan 8.240 nan 0.000 0.525 130 S N -0.418 115.269 115.700 -0.022 0.000 2.561 130 S HA 0.544 5.014 4.470 0.000 0.000 0.292 130 S C -0.706 173.888 174.600 -0.010 0.000 1.107 130 S CA -0.886 57.304 58.200 -0.016 0.000 0.969 130 S CB 0.333 63.525 63.200 -0.014 0.000 1.150 130 S HN 1.365 nan 8.310 nan 0.000 0.451 131 A N 2.576 125.389 122.820 -0.011 0.000 2.506 131 A HA 0.700 5.020 4.320 0.000 0.000 0.320 131 A C 0.175 177.756 177.584 -0.004 0.000 1.424 131 A CA -0.191 51.842 52.037 -0.008 0.000 1.044 131 A CB 0.047 19.038 19.000 -0.015 0.000 1.140 131 A HN 0.761 nan 8.150 nan 0.000 0.538 132 E N 2.045 122.248 120.200 0.005 0.000 2.275 132 E HA 0.349 4.699 4.350 0.000 0.000 0.270 132 E C -1.514 175.102 176.600 0.026 0.000 0.882 132 E CA -0.560 55.846 56.400 0.011 0.000 0.758 132 E CB 2.026 31.731 29.700 0.009 0.000 1.195 132 E HN 0.711 nan 8.360 nan 0.000 0.419 133 I N 5.042 125.629 120.570 0.029 0.000 2.325 133 I HA 0.155 4.325 4.170 0.000 0.000 0.291 133 I C -0.864 175.291 176.117 0.064 0.000 1.019 133 I CA -0.674 60.654 61.300 0.046 0.000 1.302 133 I CB 0.375 38.393 38.000 0.030 0.000 1.401 133 I HN 0.388 nan 8.210 nan 0.000 0.485 134 L N 8.499 129.779 121.223 0.095 0.000 2.295 134 L HA 0.310 4.650 4.340 0.000 0.000 0.288 134 L C 0.117 177.036 176.870 0.082 0.000 1.079 134 L CA 0.285 55.189 54.840 0.107 0.000 0.830 134 L CB 0.456 42.607 42.059 0.153 0.000 1.200 134 L HN 0.624 nan 8.230 nan 0.000 0.438 135 E N 1.917 122.149 120.200 0.052 0.000 2.360 135 E HA 0.112 4.462 4.350 0.000 0.000 0.269 135 E C 0.439 177.031 176.600 -0.012 0.000 1.022 135 E CA 0.619 57.030 56.400 0.018 0.000 0.887 135 E CB 0.822 30.537 29.700 0.025 0.000 0.990 135 E HN 0.795 nan 8.360 nan 0.000 0.426 136 T N 0.168 114.680 114.554 -0.071 0.000 2.954 136 T HA 0.300 4.650 4.350 0.000 0.000 0.252 136 T C 1.340 175.975 174.700 -0.107 0.000 0.983 136 T CA 0.446 62.474 62.100 -0.120 0.000 0.941 136 T CB 0.592 69.293 68.868 -0.278 0.000 1.141 136 T HN 0.698 nan 8.240 nan 0.000 0.500 137 G N 2.072 110.830 108.800 -0.069 0.000 2.284 137 G HA2 -0.219 3.741 3.960 0.000 0.000 0.247 137 G HA3 -0.219 3.741 3.960 0.000 0.000 0.247 137 G C 0.065 174.949 174.900 -0.027 0.000 1.012 137 G CA 0.023 45.095 45.100 -0.045 0.000 0.618 137 G HN 0.677 nan 8.290 nan 0.000 0.521 138 I N 2.150 122.690 120.570 -0.050 0.000 2.421 138 I HA 0.194 4.364 4.170 0.000 0.000 0.291 138 I C 1.712 177.841 176.117 0.021 0.000 1.089 138 I CA -0.237 61.087 61.300 0.040 0.000 1.354 138 I CB 1.007 39.036 38.000 0.049 0.000 1.413 138 I HN 0.092 nan 8.210 nan 0.000 0.513 139 K N 3.951 124.362 120.400 0.018 0.000 2.015 139 K HA -0.222 4.098 4.320 0.000 0.000 0.216 139 K C 1.893 178.441 176.600 -0.086 0.000 1.052 139 K CA 1.663 57.917 56.287 -0.055 0.000 0.937 139 K CB -0.241 32.208 32.500 -0.085 0.000 0.719 139 K HN 0.586 nan 8.250 nan 0.000 0.446 140 V N 0.977 120.874 119.914 -0.028 0.000 2.287 140 V HA -0.234 3.886 4.120 0.000 0.000 0.248 140 V C 2.105 178.197 176.094 -0.004 0.000 1.053 140 V CA 1.690 63.966 62.300 -0.039 0.000 1.027 140 V CB -0.074 31.774 31.823 0.041 0.000 0.646 140 V HN 0.171 nan 8.190 nan 0.000 0.447 141 V N 0.335 120.282 119.914 0.054 0.000 2.261 141 V HA -0.227 3.893 4.120 0.000 0.000 0.246 141 V C 2.343 178.429 176.094 -0.013 0.000 1.047 141 V CA 2.570 64.885 62.300 0.024 0.000 1.015 141 V CB -0.739 31.021 31.823 -0.104 0.000 0.642 141 V HN 0.599 nan 8.190 nan 0.000 0.446 142 D N -0.610 119.767 120.400 -0.039 0.000 2.224 142 D HA -0.075 4.565 4.640 0.000 0.000 0.205 142 D C 1.837 178.177 176.300 0.067 0.000 0.965 142 D CA 0.868 54.870 54.000 0.004 0.000 0.852 142 D CB 0.053 40.845 40.800 -0.014 0.000 0.947 142 D HN 0.382 nan 8.370 nan 0.000 0.494 143 L N -0.294 120.906 121.223 -0.039 0.000 2.102 143 L HA 0.067 4.407 4.340 0.000 0.000 0.202 143 L C 1.834 178.724 176.870 0.033 0.000 1.076 143 L CA 1.312 56.097 54.840 -0.092 0.000 0.761 143 L CB -0.160 41.690 42.059 -0.348 0.000 0.921 143 L HN -0.065 nan 8.230 nan 0.000 0.444 144 L N -0.812 120.393 121.223 -0.031 0.000 2.362 144 L HA 0.338 4.678 4.340 0.000 0.000 0.204 144 L C 0.788 177.683 176.870 0.042 0.000 1.060 144 L CA 0.608 55.436 54.840 -0.020 0.000 0.827 144 L CB -0.109 41.903 42.059 -0.078 0.000 1.027 144 L HN 0.270 nan 8.230 nan 0.000 0.474 145 A N 0.993 123.858 122.820 0.075 0.000 3.216 145 A HA 0.448 4.769 4.320 0.000 0.000 0.321 145 A C -2.562 175.137 177.584 0.192 0.000 1.042 145 A CA -1.026 51.083 52.037 0.121 0.000 0.838 145 A CB -0.175 18.901 19.000 0.127 0.000 1.136 145 A HN -0.110 nan 8.150 nan 0.000 0.483 146 P HA 0.132 nan 4.420 nan 0.000 0.269 146 P C -0.770 176.724 177.300 0.324 0.000 1.215 146 P CA 0.292 63.495 63.100 0.171 0.000 0.780 146 P CB 0.611 32.368 31.700 0.096 0.000 0.898 147 Y N 0.256 120.596 120.300 0.066 0.000 2.300 147 Y HA 0.423 4.973 4.550 -0.000 0.000 0.328 147 Y C 0.950 176.872 175.900 0.036 0.000 1.270 147 Y CA -1.430 56.704 58.100 0.057 0.000 1.352 147 Y CB 0.271 38.771 38.460 0.067 0.000 1.286 147 Y HN 0.389 nan 8.280 nan 0.000 0.536 148 A N 3.247 126.159 122.820 0.153 0.000 2.323 148 A HA 0.509 4.829 4.320 0.000 0.000 0.305 148 A C -0.084 177.528 177.584 0.047 0.000 1.275 148 A CA -0.986 51.097 52.037 0.077 0.000 0.804 148 A CB 0.253 19.278 19.000 0.042 0.000 1.152 148 A HN 0.792 nan 8.150 nan 0.000 0.487 149 R N 1.933 122.467 120.500 0.055 0.000 2.485 149 R HA 0.290 4.630 4.340 0.000 0.000 0.304 149 R C 1.360 177.669 176.300 0.015 0.000 0.934 149 R CA 2.189 58.313 56.100 0.041 0.000 1.102 149 R CB -0.120 30.211 30.300 0.052 0.000 0.906 149 R HN 1.853 nan 8.270 nan 0.000 0.407 150 G N 2.020 110.818 108.800 -0.003 0.000 2.194 150 G HA2 -0.228 3.732 3.960 0.000 0.000 0.236 150 G HA3 -0.228 3.732 3.960 0.000 0.000 0.236 150 G C 0.374 175.257 174.900 -0.030 0.000 0.987 150 G CA -0.170 44.921 45.100 -0.015 0.000 0.635 150 G HN 0.962 nan 8.290 nan 0.000 0.520 151 G N -0.472 108.307 108.800 -0.035 0.000 2.574 151 G HA2 0.624 4.584 3.960 0.000 0.000 0.248 151 G HA3 0.624 4.584 3.960 0.000 0.000 0.248 151 G C -0.334 174.522 174.900 -0.073 0.000 1.422 151 G CA -0.394 44.681 45.100 -0.041 0.000 1.051 151 G HN 0.405 nan 8.290 nan 0.000 0.560 152 K N -0.593 119.765 120.400 -0.070 0.000 2.426 152 K HA 0.534 4.854 4.320 0.000 0.000 0.254 152 K C -1.320 175.207 176.600 -0.123 0.000 0.936 152 K CA -0.297 55.930 56.287 -0.100 0.000 0.801 152 K CB 2.347 34.813 32.500 -0.056 0.000 1.139 152 K HN 0.237 nan 8.250 nan 0.000 0.424 153 I N 1.532 121.979 120.570 -0.204 0.000 2.436 153 I HA 0.358 4.528 4.170 0.000 0.000 0.289 153 I C 0.162 176.153 176.117 -0.209 0.000 1.010 153 I CA -0.529 60.598 61.300 -0.288 0.000 1.098 153 I CB 2.201 39.826 38.000 -0.626 0.000 1.266 153 I HN 0.634 nan 8.210 nan 0.000 0.434 154 G N 6.848 115.588 108.800 -0.100 0.000 2.368 154 G HA2 0.637 4.597 3.960 0.000 0.000 0.320 154 G HA3 0.637 4.597 3.960 0.000 0.000 0.320 154 G C -0.634 174.240 174.900 -0.043 0.000 1.158 154 G CA -0.504 44.521 45.100 -0.125 0.000 0.912 154 G HN 0.481 nan 8.290 nan 0.000 0.456 155 L N 2.985 124.121 121.223 -0.144 0.000 2.314 155 L HA 0.336 4.676 4.340 0.000 0.000 0.275 155 L C -0.649 176.146 176.870 -0.126 0.000 1.068 155 L CA -0.599 54.206 54.840 -0.059 0.000 0.894 155 L CB 0.190 42.248 42.059 -0.000 0.000 1.275 155 L HN 0.345 nan 8.230 nan 0.000 0.432 156 F N 1.467 121.379 119.950 -0.064 0.000 2.438 156 F HA 0.578 5.105 4.527 0.000 0.000 0.356 156 F C 1.093 176.854 175.800 -0.066 0.000 1.099 156 F CA -0.184 57.775 58.000 -0.069 0.000 1.185 156 F CB 1.445 40.412 39.000 -0.054 0.000 1.115 156 F HN 0.359 nan 8.300 nan 0.000 0.526 157 G N 1.445 110.269 108.800 0.040 0.000 2.733 157 G HA2 0.530 4.490 3.960 0.000 0.000 0.297 157 G HA3 0.530 4.490 3.960 0.000 0.000 0.297 157 G C -0.610 174.174 174.900 -0.195 0.000 1.422 157 G CA -0.666 44.415 45.100 -0.031 0.000 0.942 157 G HN 0.900 nan 8.290 nan 0.000 0.510 158 G N -0.408 108.267 108.800 -0.209 0.000 2.616 158 G HA2 0.633 4.593 3.960 0.000 0.000 0.268 158 G HA3 0.633 4.593 3.960 0.000 0.000 0.268 158 G C 0.699 175.418 174.900 -0.302 0.000 1.213 158 G CA 0.329 45.202 45.100 -0.377 0.000 0.926 158 G HN 1.515 nan 8.290 nan 0.000 0.523 159 A N -0.777 121.862 122.820 -0.302 0.000 2.537 159 A HA 0.500 4.820 4.320 0.000 0.000 0.260 159 A C 1.587 179.188 177.584 0.028 0.000 1.082 159 A CA 1.188 53.234 52.037 0.016 0.000 0.765 159 A CB -0.706 18.405 19.000 0.186 0.000 1.019 159 A HN 2.567 nan 8.150 nan 0.000 0.507 160 G N 0.803 109.640 108.800 0.062 0.000 2.176 160 G HA2 -0.215 3.745 3.960 0.000 0.000 0.253 160 G HA3 -0.215 3.745 3.960 0.000 0.000 0.253 160 G C 0.921 175.860 174.900 0.065 0.000 0.979 160 G CA 0.691 45.826 45.100 0.059 0.000 0.641 160 G HN 2.118 nan 8.290 nan 0.000 0.530 161 V N -2.551 117.397 119.914 0.058 0.000 2.788 161 V HA 0.578 4.698 4.120 0.000 0.000 0.251 161 V C 1.707 177.896 176.094 0.158 0.000 1.068 161 V CA 1.756 64.106 62.300 0.084 0.000 1.090 161 V CB 0.165 32.003 31.823 0.024 0.000 0.710 161 V HN 2.193 nan 8.190 nan 0.000 0.467 162 G N 0.020 108.908 108.800 0.147 0.000 2.223 162 G HA2 -0.107 3.853 3.960 0.000 0.000 0.200 162 G HA3 -0.107 3.853 3.960 0.000 0.000 0.200 162 G C 0.350 175.399 174.900 0.248 0.000 1.061 162 G CA 0.113 45.340 45.100 0.211 0.000 0.790 162 G HN 0.422 nan 8.290 nan 0.000 0.498 163 K N -0.249 120.262 120.400 0.184 0.000 2.002 163 K HA -0.043 4.277 4.320 0.000 0.000 0.209 163 K C 2.506 179.263 176.600 0.262 0.000 1.048 163 K CA 1.940 58.342 56.287 0.192 0.000 0.930 163 K CB -0.214 32.362 32.500 0.127 0.000 0.714 163 K HN 0.240 nan 8.250 nan 0.000 0.438 164 T N 1.082 115.776 114.554 0.233 0.000 2.821 164 T HA -0.079 4.271 4.350 0.000 0.000 0.267 164 T C 2.051 176.904 174.700 0.254 0.000 1.046 164 T CA 0.967 63.213 62.100 0.243 0.000 1.139 164 T CB -0.118 68.881 68.868 0.219 0.000 0.871 164 T HN -0.061 nan 8.240 nan 0.000 0.454 165 V N 0.856 120.932 119.914 0.270 0.000 2.295 165 V HA -0.110 4.010 4.120 0.000 0.000 0.246 165 V C 1.956 178.228 176.094 0.298 0.000 1.049 165 V CA 1.528 64.000 62.300 0.288 0.000 1.024 165 V CB -0.669 31.343 31.823 0.315 0.000 0.648 165 V HN 0.398 nan 8.190 nan 0.000 0.447 166 F N 0.145 120.237 119.950 0.237 0.000 2.075 166 F HA -0.201 4.326 4.527 0.000 0.000 0.297 166 F C 2.180 178.044 175.800 0.106 0.000 1.113 166 F CA 2.028 60.155 58.000 0.211 0.000 1.218 166 F CB -0.216 38.947 39.000 0.273 0.000 0.984 166 F HN 0.041 nan 8.300 nan 0.000 0.472 167 I N 0.011 120.817 120.570 0.393 0.000 2.423 167 I HA -0.341 3.829 4.170 0.000 0.000 0.254 167 I C 2.051 178.238 176.117 0.117 0.000 1.151 167 I CA 1.504 62.980 61.300 0.293 0.000 1.421 167 I CB -0.266 37.919 38.000 0.308 0.000 1.079 167 I HN 0.332 nan 8.210 nan 0.000 0.431 168 Q N -0.319 119.533 119.800 0.086 0.000 2.311 168 Q HA -0.215 4.125 4.340 0.000 0.000 0.203 168 Q C 1.872 177.800 176.000 -0.121 0.000 0.954 168 Q CA 1.030 56.831 55.803 -0.005 0.000 0.885 168 Q CB 0.140 28.907 28.738 0.048 0.000 0.963 168 Q HN 0.416 nan 8.270 nan 0.000 0.471 169 E N 0.872 120.934 120.200 -0.230 0.000 2.107 169 E HA -0.115 4.235 4.350 0.000 0.000 0.191 169 E C 1.614 177.983 176.600 -0.384 0.000 0.982 169 E CA 0.804 56.943 56.400 -0.435 0.000 0.809 169 E CB -0.052 29.038 29.700 -1.016 0.000 0.756 169 E HN 0.268 nan 8.360 nan 0.000 0.459 170 L N 0.057 121.098 121.223 -0.304 0.000 2.027 170 L HA -0.118 4.222 4.340 0.000 0.000 0.206 170 L C 2.465 179.293 176.870 -0.070 0.000 1.074 170 L CA 1.145 55.919 54.840 -0.110 0.000 0.745 170 L CB -0.421 41.732 42.059 0.156 0.000 0.898 170 L HN 0.192 nan 8.230 nan 0.000 0.433 171 I N 0.163 120.581 120.570 -0.254 0.000 2.248 171 I HA -0.353 3.817 4.170 0.000 0.000 0.248 171 I C 2.286 178.283 176.117 -0.200 0.000 1.107 171 I CA 1.551 62.581 61.300 -0.449 0.000 1.373 171 I CB -0.432 37.213 38.000 -0.592 0.000 1.055 171 I HN 0.374 nan 8.210 nan 0.000 0.418 172 N N 0.939 119.539 118.700 -0.166 0.000 2.188 172 N HA -0.152 4.588 4.740 0.000 0.000 0.184 172 N C 1.510 176.969 175.510 -0.085 0.000 1.018 172 N CA 1.490 54.470 53.050 -0.117 0.000 0.858 172 N CB -0.044 38.370 38.487 -0.123 0.000 0.989 172 N HN 0.229 nan 8.380 nan 0.000 0.426 173 N N -0.328 118.314 118.700 -0.097 0.000 2.368 173 N HA 0.077 4.817 4.740 0.000 0.000 0.176 173 N C 1.264 176.774 175.510 0.000 0.000 1.021 173 N CA 0.574 53.586 53.050 -0.064 0.000 0.888 173 N CB 0.140 38.558 38.487 -0.114 0.000 0.995 173 N HN 0.293 nan 8.380 nan 0.000 0.437 174 I N 0.381 120.976 120.570 0.042 0.000 2.499 174 I HA 0.132 4.302 4.170 0.000 0.000 0.243 174 I C 2.219 178.414 176.117 0.130 0.000 1.085 174 I CA 0.514 61.883 61.300 0.116 0.000 1.422 174 I CB -1.437 36.675 38.000 0.187 0.000 1.165 174 I HN -0.050 nan 8.210 nan 0.000 0.440 175 A N 2.745 125.621 122.820 0.092 0.000 1.851 175 A HA -0.258 4.062 4.320 0.000 0.000 0.216 175 A C 2.174 179.816 177.584 0.097 0.000 1.195 175 A CA 2.712 54.801 52.037 0.087 0.000 0.622 175 A CB -0.759 18.246 19.000 0.008 0.000 0.831 175 A HN 0.545 nan 8.150 nan 0.000 0.444 176 K N -0.008 120.419 120.400 0.045 0.000 2.432 176 K HA 0.384 4.704 4.320 0.000 0.000 0.196 176 K C 1.405 178.031 176.600 0.043 0.000 1.038 176 K CA 1.145 57.454 56.287 0.037 0.000 0.986 176 K CB -0.334 32.169 32.500 0.006 0.000 0.782 176 K HN 0.293 nan 8.250 nan 0.000 0.485 177 A N 0.690 123.545 122.820 0.058 0.000 2.218 177 A HA -0.009 4.311 4.320 0.000 0.000 0.209 177 A C 0.158 177.781 177.584 0.065 0.000 1.168 177 A CA 0.024 52.090 52.037 0.047 0.000 0.804 177 A CB -0.490 18.534 19.000 0.040 0.000 0.834 177 A HN 0.432 nan 8.150 nan 0.000 0.482 178 H N -1.074 117.993 119.070 -0.004 0.000 2.472 178 H HA 0.392 4.948 4.556 0.000 0.000 0.335 178 H C 1.290 176.588 175.328 -0.051 0.000 1.136 178 H CA 0.462 56.502 56.048 -0.013 0.000 1.264 178 H CB 1.723 31.495 29.762 0.016 0.000 1.486 178 H HN 0.107 nan 8.280 nan 0.000 0.517 179 G N 2.873 111.407 108.800 -0.444 0.000 2.395 179 G HA2 -0.046 3.914 3.960 0.000 0.000 0.214 179 G HA3 -0.046 3.914 3.960 0.000 0.000 0.214 179 G C 0.874 175.623 174.900 -0.251 0.000 1.177 179 G CA 0.479 45.400 45.100 -0.297 0.000 0.794 179 G HN 0.694 nan 8.290 nan 0.000 0.532 180 G N -0.585 108.105 108.800 -0.183 0.000 2.631 180 G HA2 0.388 4.348 3.960 0.000 0.000 0.271 180 G HA3 0.388 4.348 3.960 0.000 0.000 0.271 180 G C -0.642 174.178 174.900 -0.133 0.000 1.302 180 G CA -0.591 44.436 45.100 -0.122 0.000 1.002 180 G HN 0.041 nan 8.290 nan 0.000 0.519 181 F N -0.864 119.035 119.950 -0.085 0.000 2.380 181 F HA 0.572 5.099 4.527 0.000 0.000 0.321 181 F C 0.835 176.554 175.800 -0.135 0.000 1.103 181 F CA -0.617 57.241 58.000 -0.236 0.000 1.067 181 F CB 1.766 40.313 39.000 -0.754 0.000 1.265 181 F HN 0.202 nan 8.300 nan 0.000 0.517 182 S N 0.339 116.140 115.700 0.168 0.000 2.526 182 S HA 0.720 5.190 4.470 0.000 0.000 0.293 182 S C -1.188 173.529 174.600 0.195 0.000 1.092 182 S CA -0.804 57.506 58.200 0.183 0.000 0.980 182 S CB 1.966 65.320 63.200 0.255 0.000 1.048 182 S HN 0.277 nan 8.310 nan 0.000 0.483 183 V N 3.260 123.304 119.914 0.216 0.000 2.448 183 V HA 0.528 4.648 4.120 0.000 0.000 0.295 183 V C -1.069 175.164 176.094 0.233 0.000 1.025 183 V CA -0.694 61.722 62.300 0.194 0.000 0.859 183 V CB 1.075 32.991 31.823 0.154 0.000 0.988 183 V HN 0.837 nan 8.190 nan 0.000 0.431 184 F N 3.881 123.854 119.950 0.039 0.000 2.402 184 F HA 0.672 5.199 4.527 -0.000 0.000 0.355 184 F C 0.296 175.985 175.800 -0.185 0.000 1.123 184 F CA -0.302 57.694 58.000 -0.006 0.000 1.021 184 F CB 1.489 40.456 39.000 -0.055 0.000 1.160 184 F HN 0.512 nan 8.300 nan 0.000 0.451 185 T N 4.554 118.931 114.554 -0.296 0.000 2.758 185 T HA 0.490 4.840 4.350 0.000 0.000 0.285 185 T C 0.292 174.797 174.700 -0.325 0.000 0.981 185 T CA -0.624 61.327 62.100 -0.250 0.000 0.965 185 T CB 1.274 70.024 68.868 -0.197 0.000 0.927 185 T HN 0.867 nan 8.240 nan 0.000 0.448 186 G N 2.590 111.316 108.800 -0.124 0.000 2.857 186 G HA2 0.477 4.437 3.960 0.000 0.000 0.326 186 G HA3 0.477 4.437 3.960 0.000 0.000 0.326 186 G C -0.081 174.923 174.900 0.174 0.000 0.950 186 G CA -0.436 44.784 45.100 0.201 0.000 1.400 186 G HN 0.689 nan 8.290 nan 0.000 0.473 187 V N 2.026 121.987 119.914 0.079 0.000 2.530 187 V HA 0.437 4.557 4.120 0.000 0.000 0.282 187 V C 1.532 177.702 176.094 0.128 0.000 1.048 187 V CA 0.339 62.694 62.300 0.091 0.000 0.997 187 V CB 1.011 32.870 31.823 0.059 0.000 0.987 187 V HN 0.999 nan 8.190 nan 0.000 0.477 188 G N 3.551 112.424 108.800 0.122 0.000 2.410 188 G HA2 -0.202 3.758 3.960 0.000 0.000 0.286 188 G HA3 -0.202 3.758 3.960 0.000 0.000 0.286 188 G C 0.188 175.155 174.900 0.112 0.000 0.884 188 G CA 0.428 45.593 45.100 0.108 0.000 1.130 188 G HN 0.692 nan 8.290 nan 0.000 0.492 189 E N -0.784 119.501 120.200 0.142 0.000 2.396 189 E HA 0.430 4.780 4.350 0.000 0.000 0.251 189 E C 0.732 177.394 176.600 0.104 0.000 0.949 189 E CA -1.131 55.349 56.400 0.135 0.000 0.834 189 E CB 0.825 30.640 29.700 0.193 0.000 1.309 189 E HN 0.377 nan 8.360 nan 0.000 0.405 190 R N 0.213 120.767 120.500 0.091 0.000 2.421 190 R HA 0.116 4.456 4.340 0.000 0.000 0.305 190 R C 1.194 177.514 176.300 0.033 0.000 1.039 190 R CA 0.240 56.374 56.100 0.057 0.000 1.003 190 R CB 0.052 30.387 30.300 0.058 0.000 0.959 190 R HN 0.396 nan 8.270 nan 0.000 0.427 191 T N 3.000 117.551 114.554 -0.004 0.000 2.746 191 T HA -0.195 4.155 4.350 0.000 0.000 0.267 191 T C 1.758 176.404 174.700 -0.090 0.000 1.039 191 T CA 1.812 63.868 62.100 -0.073 0.000 1.142 191 T CB -0.140 68.686 68.868 -0.069 0.000 0.866 191 T HN 0.628 nan 8.240 nan 0.000 0.444 192 R N 1.887 122.363 120.500 -0.040 0.000 2.154 192 R HA -0.124 4.216 4.340 0.000 0.000 0.248 192 R C 1.858 178.144 176.300 -0.024 0.000 1.155 192 R CA 1.929 58.012 56.100 -0.028 0.000 0.979 192 R CB -0.512 29.787 30.300 -0.002 0.000 0.869 192 R HN 0.429 nan 8.270 nan 0.000 0.452 193 E N -0.256 119.942 120.200 -0.003 0.000 2.158 193 E HA -0.012 4.338 4.350 0.000 0.000 0.191 193 E C 2.063 178.652 176.600 -0.020 0.000 0.982 193 E CA 0.841 57.257 56.400 0.028 0.000 0.823 193 E CB -0.156 29.601 29.700 0.095 0.000 0.766 193 E HN 0.656 nan 8.360 nan 0.000 0.468 194 G N 1.469 110.187 108.800 -0.135 0.000 2.421 194 G HA2 -0.342 3.618 3.960 0.000 0.000 0.216 194 G HA3 -0.342 3.618 3.960 0.000 0.000 0.216 194 G C 1.444 176.158 174.900 -0.311 0.000 1.171 194 G CA 1.057 45.888 45.100 -0.448 0.000 0.775 194 G HN 0.190 nan 8.290 nan 0.000 0.543 195 N N 0.596 119.176 118.700 -0.201 0.000 2.223 195 N HA -0.092 4.648 4.740 0.000 0.000 0.185 195 N C 1.664 177.160 175.510 -0.023 0.000 1.016 195 N CA 1.462 54.465 53.050 -0.078 0.000 0.863 195 N CB -0.090 38.361 38.487 -0.060 0.000 0.983 195 N HN 0.166 nan 8.380 nan 0.000 0.429 196 D N -0.076 120.305 120.400 -0.032 0.000 2.097 196 D HA -0.142 4.498 4.640 0.000 0.000 0.195 196 D C 1.868 178.157 176.300 -0.019 0.000 0.989 196 D CA 0.706 54.694 54.000 -0.019 0.000 0.827 196 D CB -0.396 40.403 40.800 -0.003 0.000 0.966 196 D HN 0.256 nan 8.370 nan 0.000 0.456 197 L N -0.063 121.149 121.223 -0.017 0.000 2.044 197 L HA -0.145 4.195 4.340 0.000 0.000 0.205 197 L C 2.251 179.135 176.870 0.024 0.000 1.075 197 L CA 1.350 56.169 54.840 -0.035 0.000 0.747 197 L CB -0.817 41.178 42.059 -0.108 0.000 0.903 197 L HN -0.022 nan 8.230 nan 0.000 0.435 198 Y N 0.658 120.907 120.300 -0.084 0.000 2.193 198 Y HA -0.311 4.239 4.550 0.000 0.000 0.285 198 Y C 2.869 178.735 175.900 -0.056 0.000 1.166 198 Y CA 2.141 60.208 58.100 -0.055 0.000 1.181 198 Y CB -0.373 38.051 38.460 -0.060 0.000 0.976 198 Y HN 0.233 nan 8.280 nan 0.000 0.520 199 R N 0.115 120.568 120.500 -0.079 0.000 2.066 199 R HA -0.161 4.179 4.340 0.000 0.000 0.232 199 R C 2.166 178.386 176.300 -0.132 0.000 1.131 199 R CA 1.900 57.907 56.100 -0.154 0.000 0.955 199 R CB -0.125 30.120 30.300 -0.091 0.000 0.851 199 R HN 0.472 nan 8.270 nan 0.000 0.432 200 E N 0.032 120.179 120.200 -0.088 0.000 2.051 200 E HA -0.208 4.142 4.350 0.000 0.000 0.192 200 E C 2.128 178.678 176.600 -0.084 0.000 0.991 200 E CA 1.491 57.842 56.400 -0.080 0.000 0.799 200 E CB -0.092 29.567 29.700 -0.068 0.000 0.748 200 E HN 0.295 nan 8.360 nan 0.000 0.449 201 M N 1.195 120.747 119.600 -0.079 0.000 2.082 201 M HA -0.205 4.275 4.480 0.000 0.000 0.258 201 M C 2.031 178.283 176.300 -0.081 0.000 1.069 201 M CA 1.652 56.914 55.300 -0.063 0.000 1.102 201 M CB -0.893 31.698 32.600 -0.015 0.000 1.336 201 M HN 0.060 nan 8.290 nan 0.000 0.404 202 K N 0.362 120.677 120.400 -0.142 0.000 2.026 202 K HA -0.145 4.175 4.320 0.000 0.000 0.208 202 K C 1.861 178.398 176.600 -0.104 0.000 1.048 202 K CA 1.315 57.512 56.287 -0.150 0.000 0.929 202 K CB -0.281 32.071 32.500 -0.247 0.000 0.713 202 K HN 0.489 nan 8.250 nan 0.000 0.439 203 E N 0.144 120.282 120.200 -0.103 0.000 2.274 203 E HA -0.071 4.279 4.350 0.000 0.000 0.194 203 E C 1.120 177.684 176.600 -0.060 0.000 0.996 203 E CA 1.032 57.385 56.400 -0.078 0.000 0.840 203 E CB 0.163 29.816 29.700 -0.078 0.000 0.772 203 E HN 0.267 nan 8.360 nan 0.000 0.491 204 T N -1.058 113.461 114.554 -0.059 0.000 3.086 204 T HA 0.192 4.542 4.350 0.000 0.000 0.250 204 T C 1.165 175.844 174.700 -0.036 0.000 1.074 204 T CA 0.411 62.483 62.100 -0.047 0.000 0.988 204 T CB 0.813 69.651 68.868 -0.050 0.000 0.988 204 T HN 0.323 nan 8.240 nan 0.000 0.530 205 G N 1.316 110.094 108.800 -0.036 0.000 2.147 205 G HA2 -0.285 3.675 3.960 0.000 0.000 0.244 205 G HA3 -0.285 3.675 3.960 0.000 0.000 0.244 205 G C 0.843 175.736 174.900 -0.011 0.000 1.005 205 G CA 0.334 45.420 45.100 -0.023 0.000 0.713 205 G HN 0.485 nan 8.290 nan 0.000 0.515 206 V N -0.509 119.396 119.914 -0.016 0.000 2.599 206 V HA 0.304 4.424 4.120 0.000 0.000 0.245 206 V C 1.548 177.650 176.094 0.014 0.000 1.046 206 V CA 1.382 63.682 62.300 -0.001 0.000 1.065 206 V CB 0.019 31.833 31.823 -0.016 0.000 0.703 206 V HN 0.457 nan 8.190 nan 0.000 0.464 207 I N 1.628 122.198 120.570 -0.000 0.000 2.378 207 I HA 0.366 4.536 4.170 0.000 0.000 0.291 207 I C -0.554 175.560 176.117 -0.006 0.000 0.992 207 I CA -0.270 61.038 61.300 0.014 0.000 1.154 207 I CB 1.533 39.555 38.000 0.036 0.000 1.315 207 I HN 0.113 nan 8.210 nan 0.000 0.448 208 N N 6.268 124.974 118.700 0.010 0.000 2.424 208 N HA 0.385 5.125 4.740 0.000 0.000 0.271 208 N C 0.360 175.876 175.510 0.010 0.000 0.985 208 N CA -0.347 52.704 53.050 0.002 0.000 0.921 208 N CB 1.643 40.136 38.487 0.011 0.000 1.149 208 N HN 0.518 nan 8.380 nan 0.000 0.492 209 L N 1.513 122.734 121.223 -0.003 0.000 2.007 209 L HA 0.067 4.407 4.340 0.000 0.000 0.205 209 L C 0.804 177.681 176.870 0.012 0.000 1.073 209 L CA 0.920 55.766 54.840 0.009 0.000 0.744 209 L CB -0.296 41.760 42.059 -0.006 0.000 0.898 209 L HN 0.540 nan 8.230 nan 0.000 0.435 210 E N 0.614 120.817 120.200 0.004 0.000 1.861 210 E HA 0.428 4.779 4.350 0.000 0.000 0.263 210 E C -0.085 176.521 176.600 0.010 0.000 1.137 210 E CA 0.452 56.856 56.400 0.006 0.000 0.944 210 E CB -0.314 29.387 29.700 0.002 0.000 1.092 210 E HN 0.335 nan 8.360 nan 0.000 0.420 211 G N 2.648 111.458 108.800 0.016 0.000 2.408 211 G HA2 -0.091 3.869 3.960 0.000 0.000 0.682 211 G HA3 -0.091 3.869 3.960 0.000 0.000 0.682 211 G C -1.016 173.901 174.900 0.028 0.000 1.303 211 G CA -0.630 44.482 45.100 0.021 0.000 0.966 211 G HN 0.490 nan 8.290 nan 0.000 0.560 212 E N -0.218 120.004 120.200 0.037 0.000 2.383 212 E HA 0.636 4.986 4.350 0.000 0.000 0.264 212 E C 0.374 177.008 176.600 0.056 0.000 1.050 212 E CA 0.385 56.815 56.400 0.051 0.000 0.896 212 E CB 0.768 30.509 29.700 0.069 0.000 0.982 212 E HN 0.744 nan 8.360 nan 0.000 0.424 213 S N 3.252 118.988 115.700 0.060 0.000 2.638 213 S HA 0.385 4.855 4.470 0.000 0.000 0.302 213 S C 0.223 174.881 174.600 0.096 0.000 1.096 213 S CA -0.902 57.335 58.200 0.062 0.000 0.953 213 S CB 1.632 64.860 63.200 0.046 0.000 1.107 213 S HN 0.604 nan 8.310 nan 0.000 0.503 214 K N 0.010 120.474 120.400 0.106 0.000 2.391 214 K HA 0.436 4.756 4.320 0.000 0.000 0.197 214 K C -0.430 176.265 176.600 0.159 0.000 1.087 214 K CA 0.175 56.573 56.287 0.184 0.000 1.012 214 K CB 0.677 33.263 32.500 0.142 0.000 0.925 214 K HN 0.366 nan 8.250 nan 0.000 0.547 215 V N 1.089 121.054 119.914 0.085 0.000 2.638 215 V HA 0.707 4.827 4.120 0.000 0.000 0.306 215 V C -1.439 174.692 176.094 0.062 0.000 1.052 215 V CA -0.802 61.548 62.300 0.083 0.000 0.885 215 V CB 1.544 33.418 31.823 0.086 0.000 0.999 215 V HN 0.214 nan 8.190 nan 0.000 0.424 216 A N 6.937 129.801 122.820 0.072 0.000 2.327 216 A HA 0.800 5.120 4.320 0.000 0.000 0.283 216 A C -0.746 176.874 177.584 0.061 0.000 1.127 216 A CA -0.467 51.610 52.037 0.066 0.000 0.810 216 A CB 0.570 19.626 19.000 0.093 0.000 1.066 216 A HN 0.895 nan 8.150 nan 0.000 0.492 217 L N 3.199 124.434 121.223 0.020 0.000 2.316 217 L HA 0.444 4.784 4.340 0.000 0.000 0.280 217 L C -1.047 175.757 176.870 -0.110 0.000 1.006 217 L CA -0.623 54.183 54.840 -0.057 0.000 0.836 217 L CB 1.700 43.764 42.059 0.007 0.000 1.221 217 L HN 0.436 nan 8.230 nan 0.000 0.418 218 V N 4.042 123.823 119.914 -0.221 0.000 2.409 218 V HA 0.459 4.579 4.120 0.000 0.000 0.291 218 V C -0.734 175.179 176.094 -0.301 0.000 1.020 218 V CA -0.402 61.800 62.300 -0.163 0.000 0.848 218 V CB 1.700 33.470 31.823 -0.089 0.000 0.990 218 V HN 0.362 nan 8.190 nan 0.000 0.430 219 F N 2.401 122.381 119.950 0.050 0.000 2.493 219 F HA 0.729 5.256 4.527 -0.000 0.000 0.329 219 F C 0.719 176.541 175.800 0.037 0.000 1.126 219 F CA -0.690 57.346 58.000 0.060 0.000 0.937 219 F CB 2.386 41.402 39.000 0.027 0.000 1.146 219 F HN 0.513 nan 8.300 nan 0.000 0.442 220 G N 3.971 112.914 108.800 0.239 0.000 4.713 220 G HA2 0.274 4.234 3.960 0.000 0.000 0.318 220 G HA3 0.274 4.234 3.960 0.000 0.000 0.318 220 G C -0.516 174.474 174.900 0.149 0.000 1.435 220 G CA -0.458 44.732 45.100 0.149 0.000 0.965 220 G HN 0.305 nan 8.290 nan 0.000 0.542 221 Q N 0.612 120.507 119.800 0.158 0.000 2.471 221 Q HA 0.141 4.481 4.340 0.000 0.000 0.223 221 Q C 1.926 177.974 176.000 0.081 0.000 1.045 221 Q CA -0.440 55.441 55.803 0.130 0.000 0.956 221 Q CB 0.789 29.586 28.738 0.098 0.000 1.249 221 Q HN 0.698 nan 8.270 nan 0.000 0.549 222 M N -0.273 119.368 119.600 0.068 0.000 2.748 222 M HA -0.041 4.439 4.480 0.000 0.000 0.241 222 M C 0.699 177.018 176.300 0.032 0.000 1.080 222 M CA 1.082 56.410 55.300 0.047 0.000 1.068 222 M CB -0.361 32.263 32.600 0.040 0.000 1.536 222 M HN 0.382 nan 8.290 nan 0.000 0.540 223 N N 0.688 119.406 118.700 0.030 0.000 2.398 223 N HA 0.022 4.762 4.740 0.000 0.000 0.188 223 N C -0.425 175.098 175.510 0.020 0.000 1.122 223 N CA 0.156 53.217 53.050 0.019 0.000 0.866 223 N CB 0.028 38.522 38.487 0.011 0.000 0.970 223 N HN 0.591 nan 8.380 nan 0.000 0.462 224 E N 1.670 121.887 120.200 0.029 0.000 2.222 224 E HA 0.366 4.716 4.350 0.000 0.000 0.272 224 E C -2.393 174.221 176.600 0.024 0.000 0.982 224 E CA -2.078 54.339 56.400 0.028 0.000 0.842 224 E CB 1.250 30.973 29.700 0.038 0.000 1.144 224 E HN 0.161 nan 8.360 nan 0.000 0.397 225 P HA 0.049 nan 4.420 nan 0.000 0.272 225 P C -2.148 175.161 177.300 0.015 0.000 1.230 225 P CA -1.238 61.871 63.100 0.015 0.000 0.788 225 P CB -0.032 31.677 31.700 0.015 0.000 0.949 226 P HA -0.246 nan 4.420 nan 0.000 0.219 226 P C 1.677 178.981 177.300 0.008 0.000 1.158 226 P CA 2.496 65.596 63.100 -0.001 0.000 0.895 226 P CB -0.634 31.059 31.700 -0.010 0.000 0.792 227 G N -0.550 108.260 108.800 0.016 0.000 2.469 227 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 227 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 227 G C 1.617 176.540 174.900 0.038 0.000 1.136 227 G CA 1.127 46.244 45.100 0.028 0.000 0.759 227 G HN 0.403 nan 8.290 nan 0.000 0.562 228 A N 0.586 123.427 122.820 0.036 0.000 1.874 228 A HA 0.151 4.471 4.320 0.000 0.000 0.214 228 A C 2.418 180.032 177.584 0.051 0.000 1.189 228 A CA 1.405 53.466 52.037 0.041 0.000 0.615 228 A CB -0.312 18.712 19.000 0.038 0.000 0.830 228 A HN 0.297 nan 8.150 nan 0.000 0.443 229 R N -0.293 120.236 120.500 0.049 0.000 2.152 229 R HA -0.022 4.319 4.340 0.000 0.000 0.232 229 R C 2.240 178.589 176.300 0.082 0.000 1.117 229 R CA 1.077 57.213 56.100 0.061 0.000 0.981 229 R CB -0.345 29.983 30.300 0.047 0.000 0.870 229 R HN 0.520 nan 8.270 nan 0.000 0.451 230 A N 0.504 123.360 122.820 0.061 0.000 1.968 230 A HA -0.057 4.263 4.320 0.000 0.000 0.217 230 A C 1.847 179.535 177.584 0.173 0.000 1.169 230 A CA 0.968 53.051 52.037 0.077 0.000 0.638 230 A CB 0.003 19.011 19.000 0.014 0.000 0.812 230 A HN 0.063 nan 8.150 nan 0.000 0.446 231 R N -1.293 119.271 120.500 0.106 0.000 2.206 231 R HA 0.104 4.444 4.340 0.000 0.000 0.198 231 R C 1.928 178.235 176.300 0.012 0.000 0.986 231 R CA 0.927 57.066 56.100 0.065 0.000 1.029 231 R CB -1.064 29.264 30.300 0.047 0.000 0.966 231 R HN 0.368 nan 8.270 nan 0.000 0.487 232 V N 1.822 121.754 119.914 0.029 0.000 2.568 232 V HA -0.229 3.891 4.120 0.000 0.000 0.253 232 V C 2.232 178.297 176.094 -0.048 0.000 1.072 232 V CA 1.950 64.249 62.300 -0.002 0.000 1.084 232 V CB -0.470 31.370 31.823 0.029 0.000 0.676 232 V HN 0.314 nan 8.190 nan 0.000 0.469 233 A N -0.184 122.603 122.820 -0.056 0.000 1.908 233 A HA -0.189 4.131 4.320 0.000 0.000 0.218 233 A C 2.116 179.574 177.584 -0.211 0.000 1.181 233 A CA 2.230 54.166 52.037 -0.169 0.000 0.627 233 A CB -0.519 18.294 19.000 -0.311 0.000 0.818 233 A HN 0.595 nan 8.150 nan 0.000 0.445 234 L N -1.074 120.028 121.223 -0.202 0.000 2.056 234 L HA -0.141 4.200 4.340 0.000 0.000 0.207 234 L C 2.772 179.545 176.870 -0.162 0.000 1.078 234 L CA 1.648 56.359 54.840 -0.215 0.000 0.749 234 L CB -1.429 40.468 42.059 -0.271 0.000 0.901 234 L HN 0.327 nan 8.230 nan 0.000 0.433 235 T N 0.380 114.858 114.554 -0.127 0.000 2.570 235 T HA -0.225 4.125 4.350 0.000 0.000 0.266 235 T C 1.850 176.497 174.700 -0.089 0.000 1.071 235 T CA 1.853 63.897 62.100 -0.094 0.000 1.172 235 T CB -0.833 67.998 68.868 -0.062 0.000 0.864 235 T HN 0.578 nan 8.240 nan 0.000 0.421 236 G N 1.061 109.808 108.800 -0.088 0.000 2.432 236 G HA2 -0.123 3.837 3.960 0.000 0.000 0.219 236 G HA3 -0.123 3.837 3.960 0.000 0.000 0.219 236 G C 1.557 176.412 174.900 -0.075 0.000 1.135 236 G CA 0.962 46.016 45.100 -0.078 0.000 0.767 236 G HN 0.492 nan 8.290 nan 0.000 0.550 237 L N 0.497 121.655 121.223 -0.108 0.000 2.141 237 L HA 0.096 4.436 4.340 0.000 0.000 0.209 237 L C 2.577 179.404 176.870 -0.071 0.000 1.094 237 L CA 2.351 57.129 54.840 -0.103 0.000 0.763 237 L CB -0.704 41.263 42.059 -0.154 0.000 0.908 237 L HN 0.072 nan 8.230 nan 0.000 0.437 238 T N -0.121 114.384 114.554 -0.082 0.000 2.951 238 T HA -0.013 4.337 4.350 0.000 0.000 0.268 238 T C 1.904 176.565 174.700 -0.064 0.000 1.073 238 T CA 1.664 63.724 62.100 -0.068 0.000 1.134 238 T CB -0.276 68.543 68.868 -0.081 0.000 0.884 238 T HN 0.335 nan 8.240 nan 0.000 0.479 239 I N 1.117 121.644 120.570 -0.071 0.000 2.353 239 I HA -0.101 4.069 4.170 0.000 0.000 0.248 239 I C 2.809 178.902 176.117 -0.039 0.000 1.119 239 I CA 0.794 62.033 61.300 -0.102 0.000 1.417 239 I CB -0.341 37.626 38.000 -0.055 0.000 1.078 239 I HN 0.184 nan 8.210 nan 0.000 0.421 240 A N 0.600 123.462 122.820 0.070 0.000 1.858 240 A HA -0.220 4.101 4.320 0.000 0.000 0.216 240 A C 2.176 179.844 177.584 0.139 0.000 1.190 240 A CA 1.571 53.718 52.037 0.182 0.000 0.617 240 A CB -0.645 18.413 19.000 0.096 0.000 0.827 240 A HN 0.405 nan 8.150 nan 0.000 0.443 241 E N -1.703 118.527 120.200 0.050 0.000 2.219 241 E HA -0.250 4.100 4.350 0.000 0.000 0.198 241 E C 1.746 178.368 176.600 0.036 0.000 0.998 241 E CA 1.481 57.901 56.400 0.033 0.000 0.818 241 E CB -0.305 29.396 29.700 0.003 0.000 0.741 241 E HN 0.808 nan 8.360 nan 0.000 0.477 242 Y N 0.317 120.536 120.300 -0.135 0.000 2.133 242 Y HA -0.235 4.315 4.550 0.000 0.000 0.287 242 Y C 1.838 177.667 175.900 -0.119 0.000 1.134 242 Y CA 1.547 59.527 58.100 -0.199 0.000 1.133 242 Y CB -0.247 37.988 38.460 -0.375 0.000 0.987 242 Y HN -0.076 nan 8.280 nan 0.000 0.502 243 F N 0.296 120.365 119.950 0.198 0.000 2.202 243 F HA -0.159 4.368 4.527 0.000 0.000 0.301 243 F C 2.660 178.490 175.800 0.049 0.000 1.082 243 F CA 1.750 59.848 58.000 0.163 0.000 1.313 243 F CB -0.735 38.434 39.000 0.281 0.000 1.024 243 F HN 0.025 nan 8.300 nan 0.000 0.495 244 R N 0.364 120.973 120.500 0.182 0.000 2.090 244 R HA -0.105 4.235 4.340 0.000 0.000 0.228 244 R C 1.150 177.453 176.300 0.006 0.000 1.110 244 R CA 1.741 57.892 56.100 0.086 0.000 0.973 244 R CB -0.161 30.176 30.300 0.061 0.000 0.869 244 R HN 0.157 nan 8.270 nan 0.000 0.440 245 D N -0.389 119.975 120.400 -0.060 0.000 2.355 245 D HA -0.021 4.619 4.640 0.000 0.000 0.206 245 D C 1.304 177.499 176.300 -0.175 0.000 1.010 245 D CA 0.501 54.439 54.000 -0.104 0.000 0.875 245 D CB 0.395 41.134 40.800 -0.103 0.000 0.966 245 D HN 0.224 nan 8.370 nan 0.000 0.512 246 E N 0.712 120.735 120.200 -0.295 0.000 2.182 246 E HA 0.039 4.390 4.350 0.000 0.000 0.195 246 E C 1.866 178.377 176.600 -0.149 0.000 0.933 246 E CA 0.329 56.511 56.400 -0.363 0.000 0.940 246 E CB -0.099 29.044 29.700 -0.929 0.000 0.945 246 E HN 0.189 nan 8.360 nan 0.000 0.477 247 E N 0.651 120.828 120.200 -0.038 0.000 2.268 247 E HA -0.054 4.296 4.350 0.000 0.000 0.195 247 E C 0.933 177.568 176.600 0.058 0.000 0.995 247 E CA 0.884 57.347 56.400 0.106 0.000 0.836 247 E CB -0.054 29.834 29.700 0.314 0.000 0.763 247 E HN 0.419 nan 8.360 nan 0.000 0.491 248 G N 2.231 111.052 108.800 0.034 0.000 2.225 248 G HA2 -0.325 3.635 3.960 0.000 0.000 0.267 248 G HA3 -0.325 3.635 3.960 0.000 0.000 0.267 248 G C 0.166 175.085 174.900 0.031 0.000 1.024 248 G CA 0.920 46.030 45.100 0.018 0.000 0.784 248 G HN 0.305 nan 8.290 nan 0.000 0.507 249 Q N 0.068 119.907 119.800 0.065 0.000 2.193 249 Q HA 0.503 4.844 4.340 0.000 0.000 0.246 249 Q C -0.190 175.846 176.000 0.061 0.000 0.959 249 Q CA -0.656 55.168 55.803 0.036 0.000 0.904 249 Q CB 0.692 29.425 28.738 -0.009 0.000 1.238 249 Q HN 0.246 nan 8.270 nan 0.000 0.469 250 D N 1.624 122.059 120.400 0.057 0.000 2.344 250 D HA 0.130 4.770 4.640 0.000 0.000 0.253 250 D C -0.704 175.669 176.300 0.123 0.000 1.255 250 D CA 0.085 54.139 54.000 0.090 0.000 0.894 250 D CB 0.336 41.204 40.800 0.113 0.000 1.067 250 D HN 0.192 nan 8.370 nan 0.000 0.492 251 V N 3.019 122.982 119.914 0.081 0.000 2.607 251 V HA 0.274 4.394 4.120 0.000 0.000 0.289 251 V C 0.714 176.784 176.094 -0.040 0.000 1.053 251 V CA -0.838 61.504 62.300 0.069 0.000 0.996 251 V CB 1.447 33.363 31.823 0.155 0.000 0.995 251 V HN 0.298 nan 8.190 nan 0.000 0.476 252 L N 4.821 125.987 121.223 -0.095 0.000 2.309 252 L HA 0.571 4.911 4.340 0.000 0.000 0.282 252 L C -0.673 176.112 176.870 -0.141 0.000 1.036 252 L CA -0.570 54.152 54.840 -0.197 0.000 0.806 252 L CB 1.531 43.484 42.059 -0.176 0.000 1.220 252 L HN 0.446 nan 8.230 nan 0.000 0.429 253 L N 3.688 124.711 121.223 -0.333 0.000 2.376 253 L HA 0.554 4.894 4.340 0.000 0.000 0.275 253 L C -1.355 175.223 176.870 -0.487 0.000 0.987 253 L CA 0.020 54.712 54.840 -0.248 0.000 0.828 253 L CB 1.361 43.314 42.059 -0.178 0.000 1.249 253 L HN 0.214 nan 8.230 nan 0.000 0.409 254 F N 6.131 125.978 119.950 -0.171 0.000 2.403 254 F HA 0.552 5.079 4.527 -0.000 0.000 0.355 254 F C 0.045 175.517 175.800 -0.546 0.000 1.119 254 F CA -0.386 57.444 58.000 -0.284 0.000 1.007 254 F CB 1.319 40.204 39.000 -0.192 0.000 1.194 254 F HN 0.253 nan 8.300 nan 0.000 0.443 255 I N 3.255 123.646 120.570 -0.298 0.000 2.377 255 I HA 0.361 4.531 4.170 0.000 0.000 0.293 255 I C -1.041 174.908 176.117 -0.281 0.000 0.987 255 I CA -0.402 60.694 61.300 -0.339 0.000 1.185 255 I CB 1.766 39.619 38.000 -0.245 0.000 1.341 255 I HN 0.454 nan 8.210 nan 0.000 0.455 256 D N 6.061 126.295 120.400 -0.276 0.000 2.591 256 D HA 0.184 4.824 4.640 0.000 0.000 0.222 256 D C -1.551 174.773 176.300 0.040 0.000 1.360 256 D CA -0.420 53.537 54.000 -0.071 0.000 0.967 256 D CB 1.296 42.098 40.800 0.003 0.000 1.456 256 D HN 0.365 nan 8.370 nan 0.000 0.588 257 N N 3.862 122.613 118.700 0.085 0.000 2.361 257 N HA 0.221 4.961 4.740 0.000 0.000 0.302 257 N C 0.889 176.454 175.510 0.091 0.000 1.074 257 N CA -0.523 52.581 53.050 0.090 0.000 0.850 257 N CB 1.770 40.353 38.487 0.161 0.000 1.228 257 N HN 0.413 nan 8.380 nan 0.000 0.491 258 I N 3.669 124.265 120.570 0.042 0.000 2.361 258 I HA -0.126 4.044 4.170 0.000 0.000 0.251 258 I C 1.818 178.017 176.117 0.136 0.000 1.133 258 I CA 1.043 62.363 61.300 0.035 0.000 1.413 258 I CB -0.500 37.456 38.000 -0.073 0.000 1.073 258 I HN 0.647 nan 8.210 nan 0.000 0.424 259 F N 1.557 121.525 119.950 0.031 0.000 2.120 259 F HA -0.299 4.229 4.527 0.000 0.000 0.300 259 F C 2.360 178.205 175.800 0.075 0.000 1.095 259 F CA 1.618 59.660 58.000 0.070 0.000 1.249 259 F CB -0.319 38.757 39.000 0.128 0.000 0.995 259 F HN -0.004 nan 8.300 nan 0.000 0.480 260 R N 0.074 120.685 120.500 0.185 0.000 2.096 260 R HA -0.205 4.135 4.340 0.000 0.000 0.235 260 R C 2.160 178.454 176.300 -0.011 0.000 1.127 260 R CA 1.535 57.682 56.100 0.078 0.000 0.968 260 R CB -1.894 28.493 30.300 0.146 0.000 0.861 260 R HN 0.461 nan 8.270 nan 0.000 0.440 261 F N 2.178 122.074 119.950 -0.091 0.000 2.063 261 F HA -0.280 4.247 4.527 0.000 0.000 0.298 261 F C 2.027 177.747 175.800 -0.134 0.000 1.109 261 F CA 2.073 60.012 58.000 -0.102 0.000 1.212 261 F CB -0.744 38.193 39.000 -0.106 0.000 0.973 261 F HN -0.055 nan 8.300 nan 0.000 0.480 262 T N 0.090 114.375 114.554 -0.448 0.000 2.737 262 T HA -0.246 4.104 4.350 0.000 0.000 0.265 262 T C 1.915 176.378 174.700 -0.394 0.000 1.038 262 T CA 1.527 63.305 62.100 -0.537 0.000 1.144 262 T CB -0.427 68.210 68.868 -0.385 0.000 0.866 262 T HN 0.498 nan 8.240 nan 0.000 0.434 263 Q N 0.478 120.006 119.800 -0.453 0.000 2.170 263 Q HA -0.081 4.259 4.340 0.000 0.000 0.203 263 Q C 2.302 178.187 176.000 -0.192 0.000 0.976 263 Q CA 1.408 57.012 55.803 -0.332 0.000 0.858 263 Q CB -0.205 28.308 28.738 -0.375 0.000 0.907 263 Q HN 0.541 nan 8.270 nan 0.000 0.433 264 A N 0.231 122.938 122.820 -0.188 0.000 1.898 264 A HA 0.032 4.352 4.320 0.000 0.000 0.214 264 A C 2.267 179.764 177.584 -0.145 0.000 1.183 264 A CA 1.132 53.096 52.037 -0.122 0.000 0.622 264 A CB -1.092 17.865 19.000 -0.073 0.000 0.824 264 A HN 0.567 nan 8.150 nan 0.000 0.444 265 G N -0.545 108.108 108.800 -0.245 0.000 2.446 265 G HA2 -0.269 3.691 3.960 0.000 0.000 0.217 265 G HA3 -0.269 3.691 3.960 0.000 0.000 0.217 265 G C 1.912 176.731 174.900 -0.134 0.000 1.168 265 G CA 1.552 46.520 45.100 -0.221 0.000 0.771 265 G HN 0.516 nan 8.290 nan 0.000 0.551 266 S N 0.353 115.979 115.700 -0.124 0.000 2.372 266 S HA -0.178 4.292 4.470 0.000 0.000 0.227 266 S C 2.288 176.841 174.600 -0.078 0.000 1.044 266 S CA 2.044 60.199 58.200 -0.075 0.000 1.050 266 S CB -0.338 62.807 63.200 -0.092 0.000 0.901 266 S HN 0.626 nan 8.310 nan 0.000 0.447 267 E N 0.158 120.308 120.200 -0.082 0.000 2.077 267 E HA -0.117 4.233 4.350 0.000 0.000 0.193 267 E C 2.282 178.856 176.600 -0.044 0.000 0.989 267 E CA 1.617 57.982 56.400 -0.059 0.000 0.800 267 E CB -0.398 29.272 29.700 -0.050 0.000 0.746 267 E HN 0.650 nan 8.360 nan 0.000 0.452 268 V N -0.563 119.324 119.914 -0.046 0.000 2.591 268 V HA -0.138 3.982 4.120 0.000 0.000 0.249 268 V C 2.320 178.399 176.094 -0.026 0.000 1.053 268 V CA 2.043 64.326 62.300 -0.029 0.000 1.068 268 V CB 0.133 31.943 31.823 -0.022 0.000 0.689 268 V HN 0.154 nan 8.190 nan 0.000 0.462 269 S N 0.707 116.386 115.700 -0.035 0.000 2.368 269 S HA -0.085 4.385 4.470 0.000 0.000 0.225 269 S C 2.186 176.774 174.600 -0.020 0.000 1.030 269 S CA 1.820 60.005 58.200 -0.025 0.000 0.999 269 S CB -0.620 62.564 63.200 -0.027 0.000 0.844 269 S HN 1.069 nan 8.310 nan 0.000 0.459 270 A N 1.465 124.269 122.820 -0.027 0.000 1.865 270 A HA 0.017 4.337 4.320 0.000 0.000 0.217 270 A C 2.218 179.792 177.584 -0.016 0.000 1.191 270 A CA 1.653 53.675 52.037 -0.024 0.000 0.623 270 A CB -0.931 18.049 19.000 -0.033 0.000 0.826 270 A HN 0.577 nan 8.150 nan 0.000 0.444 271 L N -0.642 120.572 121.223 -0.015 0.000 2.217 271 L HA -0.050 4.290 4.340 0.000 0.000 0.211 271 L C 2.137 179.005 176.870 -0.003 0.000 1.107 271 L CA 0.472 55.307 54.840 -0.008 0.000 0.783 271 L CB -0.328 41.727 42.059 -0.007 0.000 0.919 271 L HN 0.336 nan 8.230 nan 0.000 0.442 272 L N -0.050 121.171 121.223 -0.003 0.000 2.549 272 L HA -0.001 4.339 4.340 0.000 0.000 0.229 272 L C 1.341 178.212 176.870 0.002 0.000 1.158 272 L CA 0.640 55.481 54.840 0.001 0.000 0.842 272 L CB -0.689 41.370 42.059 -0.001 0.000 0.952 272 L HN 0.528 nan 8.230 nan 0.000 0.452 273 G N 0.538 109.337 108.800 -0.001 0.000 2.182 273 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 273 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 273 G C 0.157 175.056 174.900 -0.000 0.000 1.042 273 G CA -0.169 44.931 45.100 -0.000 0.000 0.775 273 G HN 0.280 nan 8.290 nan 0.000 0.501 274 R N -0.648 119.851 120.500 -0.002 0.000 2.679 274 R HA 0.571 4.911 4.340 0.000 0.000 0.269 274 R C 1.313 177.613 176.300 -0.000 0.000 1.076 274 R CA -0.361 55.738 56.100 -0.001 0.000 1.160 274 R CB 0.439 30.738 30.300 -0.002 0.000 1.054 274 R HN 0.355 nan 8.270 nan 0.000 0.507 275 I N 3.921 124.493 120.570 0.003 0.000 2.436 275 I HA 0.152 4.322 4.170 0.000 0.000 0.289 275 I C -1.807 174.314 176.117 0.007 0.000 1.083 275 I CA -1.841 59.462 61.300 0.004 0.000 1.372 275 I CB 0.596 38.600 38.000 0.006 0.000 1.408 275 I HN 0.274 nan 8.210 nan 0.000 0.516 276 P HA 0.051 nan 4.420 nan 0.000 0.269 276 P C -0.030 177.285 177.300 0.025 0.000 1.209 276 P CA -0.064 63.042 63.100 0.010 0.000 0.776 276 P CB 0.841 32.539 31.700 -0.004 0.000 0.876 277 S N 2.244 117.972 115.700 0.047 0.000 2.646 277 S HA 0.603 5.074 4.470 0.000 0.000 0.273 277 S C 0.066 174.713 174.600 0.078 0.000 1.168 277 S CA -0.381 57.856 58.200 0.061 0.000 1.013 277 S CB 0.052 63.295 63.200 0.073 0.000 1.098 277 S HN 0.510 nan 8.310 nan 0.000 0.544 278 A N 0.292 123.165 122.820 0.089 0.000 2.520 278 A HA 0.425 4.745 4.320 0.000 0.000 0.235 278 A C 1.123 178.804 177.584 0.161 0.000 1.065 278 A CA 0.262 52.358 52.037 0.099 0.000 0.764 278 A CB -0.811 18.240 19.000 0.086 0.000 1.002 278 A HN 1.761 nan 8.150 nan 0.000 0.502 279 V N 1.006 120.989 119.914 0.115 0.000 2.956 279 V HA -0.327 3.793 4.120 0.000 0.000 0.165 279 V C 1.782 177.850 176.094 -0.045 0.000 0.450 279 V CA 1.758 64.113 62.300 0.092 0.000 1.165 279 V CB -2.482 29.475 31.823 0.225 0.000 1.346 279 V HN 2.924 nan 8.190 nan 0.000 1.106 280 G N -2.695 106.095 108.800 -0.016 0.000 2.162 280 G HA2 -0.353 3.607 3.960 0.000 0.000 0.260 280 G HA3 -0.353 3.607 3.960 0.000 0.000 0.260 280 G C -0.118 174.712 174.900 -0.117 0.000 0.976 280 G CA 0.487 45.539 45.100 -0.079 0.000 0.655 280 G HN 0.852 nan 8.290 nan 0.000 0.533 281 Y N 1.370 121.663 120.300 -0.012 0.000 2.296 281 Y HA 0.374 4.924 4.550 -0.000 0.000 0.343 281 Y C 1.486 177.360 175.900 -0.043 0.000 1.292 281 Y CA 0.078 58.155 58.100 -0.037 0.000 1.490 281 Y CB 0.421 38.860 38.460 -0.035 0.000 1.359 281 Y HN 0.432 nan 8.280 nan 0.000 0.599 282 Q N 2.236 122.122 119.800 0.143 0.000 2.395 282 Q HA 0.060 4.400 4.340 0.000 0.000 0.271 282 Q C -2.429 173.597 176.000 0.044 0.000 1.026 282 Q CA -1.571 54.260 55.803 0.046 0.000 0.900 282 Q CB 0.561 29.296 28.738 -0.006 0.000 1.266 282 Q HN 0.370 nan 8.270 nan 0.000 0.430 283 P HA 0.001 nan 4.420 nan 0.000 0.242 283 P C 0.305 177.611 177.300 0.010 0.000 1.197 283 P CA 0.863 63.976 63.100 0.021 0.000 0.765 283 P CB 0.043 31.751 31.700 0.015 0.000 0.936 284 T N -4.922 109.632 114.554 0.000 0.000 3.252 284 T HA 0.227 4.577 4.350 0.000 0.000 0.286 284 T C 1.246 175.936 174.700 -0.017 0.000 1.013 284 T CA -0.360 61.738 62.100 -0.004 0.000 0.914 284 T CB -0.718 68.146 68.868 -0.006 0.000 1.131 284 T HN -0.043 nan 8.240 nan 0.000 0.529 285 L N 1.199 122.404 121.223 -0.030 0.000 1.978 285 L HA -0.156 4.184 4.340 0.000 0.000 0.218 285 L C 2.885 179.736 176.870 -0.032 0.000 1.075 285 L CA 2.280 57.077 54.840 -0.071 0.000 0.767 285 L CB -0.751 41.235 42.059 -0.121 0.000 0.890 285 L HN 0.473 nan 8.230 nan 0.000 0.434 286 A N -0.603 122.217 122.820 0.001 0.000 1.883 286 A HA -0.247 4.073 4.320 0.000 0.000 0.217 286 A C 2.234 179.868 177.584 0.082 0.000 1.186 286 A CA 2.562 54.630 52.037 0.052 0.000 0.624 286 A CB -1.136 17.891 19.000 0.045 0.000 0.822 286 A HN 0.642 nan 8.150 nan 0.000 0.444 287 T N -2.426 112.163 114.554 0.057 0.000 2.985 287 T HA -0.064 4.287 4.350 0.000 0.000 0.266 287 T C 1.257 176.003 174.700 0.078 0.000 1.076 287 T CA 1.221 63.361 62.100 0.067 0.000 1.135 287 T CB -0.318 68.577 68.868 0.045 0.000 0.890 287 T HN 0.341 nan 8.240 nan 0.000 0.480 288 D N 1.051 121.491 120.400 0.066 0.000 2.117 288 D HA 0.009 4.649 4.640 0.000 0.000 0.198 288 D C 1.915 178.355 176.300 0.234 0.000 0.982 288 D CA 0.930 54.998 54.000 0.114 0.000 0.828 288 D CB -0.343 40.456 40.800 -0.002 0.000 0.967 288 D HN 0.376 nan 8.370 nan 0.000 0.464 289 M N 0.588 120.289 119.600 0.168 0.000 2.099 289 M HA -0.010 4.470 4.480 0.000 0.000 0.262 289 M C 2.052 178.309 176.300 -0.071 0.000 1.067 289 M CA 2.065 57.436 55.300 0.118 0.000 1.124 289 M CB -0.548 32.070 32.600 0.031 0.000 1.353 289 M HN -0.003 nan 8.290 nan 0.000 0.410 290 G N 0.747 109.587 108.800 0.067 0.000 2.513 290 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 290 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 290 G C 1.520 176.459 174.900 0.064 0.000 1.160 290 G CA 1.416 46.614 45.100 0.163 0.000 0.767 290 G HN 0.495 nan 8.290 nan 0.000 0.571 291 L N -0.463 120.795 121.223 0.058 0.000 2.012 291 L HA -0.099 4.241 4.340 0.000 0.000 0.210 291 L C 2.791 179.645 176.870 -0.027 0.000 1.073 291 L CA 1.272 56.136 54.840 0.040 0.000 0.748 291 L CB -0.430 41.675 42.059 0.077 0.000 0.891 291 L HN 0.329 nan 8.230 nan 0.000 0.431 292 L N -0.758 120.411 121.223 -0.089 0.000 1.988 292 L HA -0.220 4.121 4.340 0.000 0.000 0.207 292 L C 2.699 179.436 176.870 -0.222 0.000 1.071 292 L CA 1.655 56.348 54.840 -0.245 0.000 0.744 292 L CB -0.516 41.207 42.059 -0.559 0.000 0.893 292 L HN 0.203 nan 8.230 nan 0.000 0.433 293 Q N -0.144 119.503 119.800 -0.256 0.000 2.124 293 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 293 Q C 2.098 178.062 176.000 -0.060 0.000 0.977 293 Q CA 1.330 56.992 55.803 -0.235 0.000 0.850 293 Q CB -0.351 28.064 28.738 -0.538 0.000 0.901 293 Q HN 0.618 nan 8.270 nan 0.000 0.429 294 E N 0.526 120.729 120.200 0.004 0.000 2.338 294 E HA -0.107 4.243 4.350 0.000 0.000 0.197 294 E C 1.891 178.494 176.600 0.004 0.000 1.007 294 E CA 0.429 56.857 56.400 0.047 0.000 0.849 294 E CB 0.006 29.749 29.700 0.072 0.000 0.774 294 E HN 0.323 nan 8.360 nan 0.000 0.506 295 R N 0.218 120.699 120.500 -0.032 0.000 2.093 295 R HA 0.088 4.428 4.340 0.000 0.000 0.224 295 R C 1.096 177.367 176.300 -0.048 0.000 1.101 295 R CA 0.361 56.436 56.100 -0.041 0.000 0.979 295 R CB -0.041 30.221 30.300 -0.063 0.000 0.877 295 R HN 0.081 nan 8.270 nan 0.000 0.441 296 I N 2.027 122.555 120.570 -0.069 0.000 2.455 296 I HA -0.021 4.149 4.170 0.000 0.000 0.303 296 I C 0.186 176.277 176.117 -0.044 0.000 1.180 296 I CA 0.462 61.719 61.300 -0.071 0.000 1.469 296 I CB -0.007 37.929 38.000 -0.107 0.000 1.480 296 I HN -0.001 nan 8.210 nan 0.000 0.669 297 T N 2.839 117.374 114.554 -0.032 0.000 2.868 297 T HA 0.298 4.649 4.350 0.000 0.000 0.306 297 T C -0.311 174.376 174.700 -0.023 0.000 1.224 297 T CA -0.436 61.650 62.100 -0.023 0.000 1.012 297 T CB 1.758 70.619 68.868 -0.012 0.000 1.221 297 T HN 0.274 nan 8.240 nan 0.000 0.499 298 T N 3.238 117.778 114.554 -0.023 0.000 2.727 298 T HA 0.406 4.756 4.350 0.000 0.000 0.295 298 T C 0.429 175.112 174.700 -0.029 0.000 0.915 298 T CA 0.096 62.182 62.100 -0.022 0.000 1.066 298 T CB 0.632 69.488 68.868 -0.021 0.000 0.891 298 T HN 0.657 nan 8.240 nan 0.000 0.516 299 T N 1.981 116.520 114.554 -0.025 0.000 2.867 299 T HA 0.271 4.621 4.350 0.000 0.000 0.286 299 T C 1.036 175.716 174.700 -0.033 0.000 1.022 299 T CA -0.724 61.357 62.100 -0.031 0.000 0.933 299 T CB 0.484 69.336 68.868 -0.026 0.000 1.280 299 T HN 0.436 nan 8.240 nan 0.000 0.566 300 K N 0.733 121.112 120.400 -0.036 0.000 2.446 300 K HA 0.190 4.510 4.320 0.000 0.000 0.203 300 K C 1.020 177.604 176.600 -0.027 0.000 1.027 300 K CA 0.099 56.366 56.287 -0.034 0.000 1.166 300 K CB 0.365 32.842 32.500 -0.039 0.000 0.869 300 K HN 0.367 nan 8.250 nan 0.000 0.504 301 K N -0.321 120.065 120.400 -0.024 0.000 2.325 301 K HA 0.115 4.436 4.320 0.000 0.000 0.203 301 K C 0.954 177.546 176.600 -0.013 0.000 1.128 301 K CA 0.400 56.674 56.287 -0.022 0.000 0.931 301 K CB 0.999 33.481 32.500 -0.029 0.000 1.125 301 K HN 0.161 nan 8.250 nan 0.000 0.487 302 G N -0.666 108.130 108.800 -0.007 0.000 2.731 302 G HA2 0.418 4.378 3.960 0.000 0.000 0.309 302 G HA3 0.418 4.378 3.960 0.000 0.000 0.309 302 G C -1.416 173.489 174.900 0.008 0.000 1.273 302 G CA -0.414 44.691 45.100 0.007 0.000 0.798 302 G HN -0.058 nan 8.290 nan 0.000 0.509 303 S N -1.510 114.203 115.700 0.021 0.000 2.513 303 S HA 0.675 5.145 4.470 0.000 0.000 0.299 303 S C -0.903 173.707 174.600 0.017 0.000 1.087 303 S CA -0.409 57.799 58.200 0.014 0.000 1.012 303 S CB 1.735 64.946 63.200 0.019 0.000 1.044 303 S HN 0.735 nan 8.310 nan 0.000 0.485 304 V N 3.716 123.626 119.914 -0.007 0.000 2.380 304 V HA 0.407 4.527 4.120 0.000 0.000 0.286 304 V C -0.354 175.700 176.094 -0.067 0.000 1.015 304 V CA -0.720 61.563 62.300 -0.027 0.000 0.834 304 V CB 1.366 33.173 31.823 -0.027 0.000 1.009 304 V HN 0.907 nan 8.190 nan 0.000 0.428 305 T N 3.197 117.692 114.554 -0.098 0.000 2.767 305 T HA 0.538 4.888 4.350 0.000 0.000 0.288 305 T C 0.174 174.724 174.700 -0.249 0.000 0.963 305 T CA -0.451 61.563 62.100 -0.142 0.000 1.019 305 T CB 1.207 70.002 68.868 -0.122 0.000 0.923 305 T HN 0.797 nan 8.240 nan 0.000 0.468 306 S N 1.882 117.428 115.700 -0.257 0.000 2.561 306 S HA 0.640 5.111 4.470 0.000 0.000 0.303 306 S C -0.561 173.829 174.600 -0.349 0.000 1.110 306 S CA -0.809 57.181 58.200 -0.349 0.000 1.034 306 S CB 1.110 64.150 63.200 -0.267 0.000 1.010 306 S HN 0.425 nan 8.310 nan 0.000 0.482 307 V N 3.889 123.526 119.914 -0.461 0.000 2.439 307 V HA 0.471 4.591 4.120 0.000 0.000 0.282 307 V C -0.247 175.743 176.094 -0.174 0.000 1.039 307 V CA -0.387 61.751 62.300 -0.271 0.000 0.913 307 V CB 1.125 32.878 31.823 -0.117 0.000 0.983 307 V HN 0.963 nan 8.190 nan 0.000 0.460 308 Q N 3.073 122.785 119.800 -0.146 0.000 2.304 308 Q HA 0.704 5.044 4.340 0.000 0.000 0.270 308 Q C -0.526 175.396 176.000 -0.129 0.000 1.035 308 Q CA -0.642 55.072 55.803 -0.147 0.000 0.781 308 Q CB 2.427 31.045 28.738 -0.199 0.000 1.261 308 Q HN 0.854 nan 8.270 nan 0.000 0.444 309 A N 2.240 125.020 122.820 -0.066 0.000 2.409 309 A HA 0.478 4.798 4.320 0.000 0.000 0.262 309 A C -0.224 177.295 177.584 -0.109 0.000 1.113 309 A CA -0.290 51.721 52.037 -0.045 0.000 0.790 309 A CB 0.356 19.387 19.000 0.053 0.000 1.046 309 A HN 0.488 nan 8.150 nan 0.000 0.496 310 V N 3.933 123.721 119.914 -0.212 0.000 2.349 310 V HA 0.151 4.271 4.120 0.000 0.000 0.284 310 V C -0.519 175.529 176.094 -0.078 0.000 1.014 310 V CA -0.493 61.659 62.300 -0.247 0.000 0.826 310 V CB 0.564 31.888 31.823 -0.831 0.000 1.009 310 V HN 0.805 nan 8.190 nan 0.000 0.431 311 Y N 4.807 125.064 120.300 -0.072 0.000 2.544 311 Y HA 0.376 4.926 4.550 0.000 0.000 0.330 311 Y C 0.062 175.816 175.900 -0.243 0.000 1.136 311 Y CA 0.204 58.181 58.100 -0.203 0.000 1.417 311 Y CB 0.993 39.212 38.460 -0.400 0.000 1.229 311 Y HN 0.432 nan 8.280 nan 0.000 0.532 312 V N 9.828 129.437 119.914 -0.509 0.000 2.311 312 V HA 0.274 4.394 4.120 0.000 0.000 0.275 312 V C -2.210 173.623 176.094 -0.434 0.000 1.022 312 V CA -2.110 60.042 62.300 -0.247 0.000 0.830 312 V CB 0.889 32.671 31.823 -0.069 0.000 1.012 312 V HN 0.717 nan 8.190 nan 0.000 0.452 313 P HA 0.235 nan 4.420 nan 0.000 0.271 313 P C 0.366 177.676 177.300 0.018 0.000 1.220 313 P CA 0.299 63.437 63.100 0.063 0.000 0.768 313 P CB 0.806 32.658 31.700 0.254 0.000 0.848 314 A N 3.739 126.564 122.820 0.010 0.000 2.560 314 A HA -0.233 4.087 4.320 0.000 0.000 0.299 314 A C 0.758 178.328 177.584 -0.023 0.000 1.484 314 A CA 0.972 53.013 52.037 0.007 0.000 0.749 314 A CB -2.609 16.419 19.000 0.046 0.000 1.072 314 A HN 0.644 nan 8.150 nan 0.000 0.426 315 D N -1.352 118.997 120.400 -0.085 0.000 2.860 315 D HA -0.189 4.451 4.640 0.000 0.000 0.229 315 D C -0.196 176.093 176.300 -0.019 0.000 1.169 315 D CA 2.301 56.261 54.000 -0.067 0.000 0.737 315 D CB -0.719 40.053 40.800 -0.045 0.000 1.080 315 D HN 0.973 nan 8.370 nan 0.000 0.424 316 D N -0.205 120.198 120.400 0.005 0.000 2.460 316 D HA 0.268 4.909 4.640 0.000 0.000 0.232 316 D C 1.071 177.423 176.300 0.088 0.000 1.079 316 D CA -0.521 53.507 54.000 0.047 0.000 0.864 316 D CB 0.477 41.315 40.800 0.063 0.000 1.048 316 D HN 0.045 nan 8.370 nan 0.000 0.523 317 L N 2.585 123.865 121.223 0.094 0.000 2.610 317 L HA 0.028 4.368 4.340 0.000 0.000 0.232 317 L C 1.867 178.851 176.870 0.190 0.000 1.149 317 L CA 0.935 55.873 54.840 0.164 0.000 0.872 317 L CB -0.221 41.928 42.059 0.151 0.000 0.992 317 L HN 0.498 nan 8.230 nan 0.000 0.447 318 T N -5.650 108.981 114.554 0.129 0.000 3.040 318 T HA 0.009 4.359 4.350 0.000 0.000 0.250 318 T C 0.560 175.336 174.700 0.127 0.000 1.058 318 T CA -0.461 61.707 62.100 0.114 0.000 0.988 318 T CB -0.264 68.645 68.868 0.069 0.000 0.993 318 T HN 0.144 nan 8.240 nan 0.000 0.519 319 D N 3.020 123.513 120.400 0.155 0.000 2.583 319 D HA 0.059 4.699 4.640 0.000 0.000 0.232 319 D C -1.415 174.967 176.300 0.137 0.000 1.128 319 D CA -1.309 52.807 54.000 0.194 0.000 0.859 319 D CB 0.990 41.948 40.800 0.263 0.000 1.169 319 D HN -0.007 nan 8.370 nan 0.000 0.481 320 P HA -0.210 nan 4.420 nan 0.000 0.218 320 P C 0.575 177.715 177.300 -0.267 0.000 1.146 320 P CA 1.648 64.673 63.100 -0.124 0.000 0.820 320 P CB 0.081 31.640 31.700 -0.235 0.000 0.778 321 A N 0.545 123.187 122.820 -0.296 0.000 1.825 321 A HA -0.077 4.243 4.320 0.000 0.000 0.214 321 A C -0.101 177.495 177.584 0.020 0.000 1.206 321 A CA 1.884 53.797 52.037 -0.206 0.000 0.609 321 A CB -2.125 16.858 19.000 -0.029 0.000 0.851 321 A HN 0.192 nan 8.150 nan 0.000 0.445 322 P HA -0.097 nan 4.420 nan 0.000 0.220 322 P C 1.519 178.887 177.300 0.113 0.000 1.148 322 P CA 1.825 65.029 63.100 0.172 0.000 0.803 322 P CB -0.175 31.696 31.700 0.284 0.000 0.782 323 A N 0.329 123.262 122.820 0.189 0.000 1.883 323 A HA -0.168 4.152 4.320 0.000 0.000 0.217 323 A C 2.273 179.990 177.584 0.222 0.000 1.186 323 A CA 2.568 54.766 52.037 0.268 0.000 0.624 323 A CB -1.954 17.139 19.000 0.156 0.000 0.822 323 A HN 0.220 nan 8.150 nan 0.000 0.444 324 T N -0.645 113.975 114.554 0.109 0.000 3.035 324 T HA -0.036 4.314 4.350 0.000 0.000 0.268 324 T C 1.815 176.630 174.700 0.191 0.000 1.109 324 T CA 1.550 63.717 62.100 0.112 0.000 1.119 324 T CB -0.264 68.619 68.868 0.024 0.000 0.900 324 T HN 0.547 nan 8.240 nan 0.000 0.503 325 T N 1.702 116.342 114.554 0.143 0.000 2.809 325 T HA 0.048 4.398 4.350 0.000 0.000 0.260 325 T C 1.503 176.353 174.700 0.251 0.000 1.039 325 T CA 0.665 62.848 62.100 0.138 0.000 1.141 325 T CB -0.435 68.420 68.868 -0.022 0.000 0.869 325 T HN 0.243 nan 8.240 nan 0.000 0.437 326 F N 2.264 122.405 119.950 0.319 0.000 2.063 326 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 326 F C 2.742 178.613 175.800 0.120 0.000 1.105 326 F CA 1.084 59.202 58.000 0.197 0.000 1.215 326 F CB -1.293 37.716 39.000 0.016 0.000 0.972 326 F HN 0.147 nan 8.300 nan 0.000 0.483 327 A N -0.913 122.062 122.820 0.257 0.000 1.971 327 A HA -0.268 4.052 4.320 0.000 0.000 0.222 327 A C 1.921 179.476 177.584 -0.049 0.000 1.182 327 A CA 2.173 54.234 52.037 0.040 0.000 0.649 327 A CB -1.173 17.776 19.000 -0.084 0.000 0.818 327 A HN 0.588 nan 8.150 nan 0.000 0.458 328 H N -1.205 117.920 119.070 0.093 0.000 2.547 328 H HA 0.256 4.812 4.556 0.000 0.000 0.266 328 H C 0.324 175.677 175.328 0.041 0.000 0.988 328 H CA 0.258 56.336 56.048 0.050 0.000 1.147 328 H CB -0.113 29.662 29.762 0.022 0.000 1.365 328 H HN 0.373 nan 8.280 nan 0.000 0.589 329 L N -0.201 121.122 121.223 0.165 0.000 2.400 329 L HA 0.164 4.504 4.340 0.000 0.000 0.264 329 L C 0.604 177.518 176.870 0.073 0.000 1.061 329 L CA -0.212 54.699 54.840 0.118 0.000 0.799 329 L CB 1.240 43.402 42.059 0.172 0.000 1.240 329 L HN -0.061 nan 8.230 nan 0.000 0.461 330 D N -0.461 119.961 120.400 0.038 0.000 2.514 330 D HA 0.285 4.925 4.640 0.000 0.000 0.249 330 D C -0.088 176.233 176.300 0.034 0.000 1.036 330 D CA 0.233 54.248 54.000 0.026 0.000 0.911 330 D CB 0.746 41.548 40.800 0.004 0.000 1.145 330 D HN 0.545 nan 8.370 nan 0.000 0.495 331 A N 0.068 122.898 122.820 0.017 0.000 2.515 331 A HA 0.707 5.027 4.320 0.000 0.000 0.296 331 A C -0.801 176.814 177.584 0.052 0.000 1.094 331 A CA -0.587 51.475 52.037 0.042 0.000 0.718 331 A CB 1.544 20.577 19.000 0.056 0.000 1.307 331 A HN 0.004 nan 8.150 nan 0.000 0.408 332 T N -1.209 113.419 114.554 0.123 0.000 2.916 332 T HA 0.688 5.038 4.350 0.000 0.000 0.298 332 T C -0.787 174.030 174.700 0.195 0.000 1.031 332 T CA -0.404 61.820 62.100 0.207 0.000 0.993 332 T CB 1.465 70.511 68.868 0.297 0.000 1.045 332 T HN 0.605 nan 8.240 nan 0.000 0.454 333 T N 3.241 117.917 114.554 0.204 0.000 2.821 333 T HA 0.499 4.849 4.350 0.000 0.000 0.307 333 T C -0.065 174.704 174.700 0.116 0.000 1.034 333 T CA -0.555 61.624 62.100 0.131 0.000 0.953 333 T CB 0.809 69.710 68.868 0.054 0.000 0.968 333 T HN 0.672 nan 8.240 nan 0.000 0.462 334 V N 5.461 125.431 119.914 0.093 0.000 2.432 334 V HA 0.384 4.504 4.120 0.000 0.000 0.275 334 V C 0.075 176.183 176.094 0.023 0.000 1.043 334 V CA -0.748 61.609 62.300 0.096 0.000 0.925 334 V CB 0.954 32.809 31.823 0.055 0.000 0.985 334 V HN 0.740 nan 8.190 nan 0.000 0.466 335 L N 4.541 125.778 121.223 0.024 0.000 2.272 335 L HA 0.550 4.891 4.340 0.000 0.000 0.289 335 L C 0.268 177.136 176.870 -0.003 0.000 1.032 335 L CA 0.021 54.855 54.840 -0.010 0.000 0.810 335 L CB 1.696 43.745 42.059 -0.016 0.000 1.205 335 L HN 0.687 nan 8.230 nan 0.000 0.422 336 S N 3.059 118.748 115.700 -0.019 0.000 2.454 336 S HA 0.330 4.800 4.470 0.000 0.000 0.306 336 S C 0.880 175.454 174.600 -0.043 0.000 1.100 336 S CA -0.712 57.472 58.200 -0.026 0.000 1.087 336 S CB 1.742 64.926 63.200 -0.026 0.000 1.019 336 S HN 0.751 nan 8.310 nan 0.000 0.480 337 R N 3.302 123.779 120.500 -0.038 0.000 2.096 337 R HA -0.048 4.292 4.340 0.000 0.000 0.235 337 R C 2.063 178.333 176.300 -0.051 0.000 1.127 337 R CA 1.888 57.964 56.100 -0.040 0.000 0.968 337 R CB -0.985 29.297 30.300 -0.030 0.000 0.861 337 R HN 0.847 nan 8.270 nan 0.000 0.440 338 G N 0.891 109.664 108.800 -0.044 0.000 2.470 338 G HA2 -0.171 3.789 3.960 0.000 0.000 0.220 338 G HA3 -0.171 3.789 3.960 0.000 0.000 0.220 338 G C 1.313 176.178 174.900 -0.058 0.000 1.121 338 G CA 0.472 45.545 45.100 -0.044 0.000 0.766 338 G HN 0.208 nan 8.290 nan 0.000 0.553 339 I N 1.809 122.334 120.570 -0.075 0.000 2.400 339 I HA -0.080 4.090 4.170 0.000 0.000 0.248 339 I C 3.022 179.021 176.117 -0.197 0.000 1.109 339 I CA 1.591 62.830 61.300 -0.102 0.000 1.425 339 I CB -1.086 36.863 38.000 -0.085 0.000 1.094 339 I HN 0.316 nan 8.210 nan 0.000 0.425 340 S N 0.406 115.961 115.700 -0.242 0.000 2.428 340 S HA -0.093 4.377 4.470 0.000 0.000 0.230 340 S C 1.678 176.135 174.600 -0.238 0.000 1.014 340 S CA 0.703 58.643 58.200 -0.433 0.000 0.957 340 S CB -0.418 62.614 63.200 -0.280 0.000 0.784 340 S HN 0.464 nan 8.310 nan 0.000 0.499 341 E N 0.775 120.909 120.200 -0.110 0.000 2.285 341 E HA 0.170 4.520 4.350 0.000 0.000 0.194 341 E C 1.734 178.311 176.600 -0.039 0.000 0.997 341 E CA 0.345 56.718 56.400 -0.044 0.000 0.845 341 E CB -0.167 29.518 29.700 -0.023 0.000 0.782 341 E HN 0.495 nan 8.360 nan 0.000 0.491 342 L N -0.572 120.613 121.223 -0.063 0.000 2.313 342 L HA 0.021 4.361 4.340 0.000 0.000 0.214 342 L C 1.231 178.073 176.870 -0.046 0.000 1.119 342 L CA 0.769 55.580 54.840 -0.048 0.000 0.809 342 L CB 0.161 42.192 42.059 -0.046 0.000 0.933 342 L HN 0.326 nan 8.230 nan 0.000 0.449 343 G N 0.243 108.998 108.800 -0.075 0.000 2.151 343 G HA2 -0.165 3.795 3.960 0.000 0.000 0.156 343 G HA3 -0.165 3.795 3.960 0.000 0.000 0.156 343 G C -0.132 174.773 174.900 0.007 0.000 1.017 343 G CA -0.670 44.432 45.100 0.003 0.000 0.686 343 G HN 0.055 nan 8.290 nan 0.000 0.503 344 I N 1.225 121.678 120.570 -0.195 0.000 2.307 344 I HA 0.506 4.676 4.170 0.000 0.000 0.289 344 I C -0.346 175.556 176.117 -0.359 0.000 1.021 344 I CA -1.466 59.774 61.300 -0.099 0.000 1.224 344 I CB 0.257 38.243 38.000 -0.024 0.000 1.376 344 I HN 0.085 nan 8.210 nan 0.000 0.470 345 Y N 7.082 127.396 120.300 0.023 0.000 2.409 345 Y HA 0.455 5.005 4.550 0.000 0.000 0.343 345 Y C -2.042 173.744 175.900 -0.189 0.000 0.973 345 Y CA -2.558 55.502 58.100 -0.067 0.000 1.064 345 Y CB 1.740 40.143 38.460 -0.095 0.000 1.207 345 Y HN 0.399 nan 8.280 nan 0.000 0.452 346 P HA 0.085 nan 4.420 nan 0.000 0.271 346 P C -0.423 176.936 177.300 0.098 0.000 1.218 346 P CA -0.184 63.022 63.100 0.176 0.000 0.780 346 P CB 1.051 33.042 31.700 0.484 0.000 0.901 347 A N 3.490 126.350 122.820 0.067 0.000 2.958 347 A HA 0.243 4.563 4.320 0.000 0.000 0.247 347 A C 0.478 178.047 177.584 -0.026 0.000 1.679 347 A CA -0.252 51.741 52.037 -0.073 0.000 1.345 347 A CB -1.185 17.741 19.000 -0.124 0.000 1.013 347 A HN 0.364 nan 8.150 nan 0.000 0.641 348 V N 0.753 120.671 119.914 0.007 0.000 2.607 348 V HA 0.141 4.261 4.120 0.000 0.000 0.289 348 V C 0.161 176.256 176.094 0.002 0.000 1.053 348 V CA -0.605 61.697 62.300 0.002 0.000 0.996 348 V CB 1.568 33.413 31.823 0.037 0.000 0.995 348 V HN 0.588 nan 8.190 nan 0.000 0.476 349 D N 6.351 126.751 120.400 -0.001 0.000 2.396 349 D HA 0.263 4.903 4.640 0.000 0.000 0.225 349 D C -1.450 174.850 176.300 -0.000 0.000 1.121 349 D CA -2.198 51.800 54.000 -0.003 0.000 0.853 349 D CB 1.789 42.583 40.800 -0.010 0.000 1.043 349 D HN 0.265 nan 8.370 nan 0.000 0.500 350 P HA -0.035 nan 4.420 nan 0.000 0.239 350 P C 0.978 178.269 177.300 -0.016 0.000 1.184 350 P CA 0.531 63.625 63.100 -0.011 0.000 0.760 350 P CB 0.458 32.150 31.700 -0.013 0.000 0.884 351 L N -1.586 119.628 121.223 -0.015 0.000 2.624 351 L HA 0.206 4.546 4.340 0.000 0.000 0.222 351 L C 2.198 179.047 176.870 -0.035 0.000 1.046 351 L CA 0.310 55.136 54.840 -0.024 0.000 0.872 351 L CB -0.677 41.368 42.059 -0.023 0.000 1.190 351 L HN -0.150 nan 8.230 nan 0.000 0.487 352 D N 0.700 121.077 120.400 -0.038 0.000 2.149 352 D HA -0.053 4.587 4.640 0.000 0.000 0.201 352 D C 0.673 176.944 176.300 -0.047 0.000 0.972 352 D CA 0.575 54.538 54.000 -0.062 0.000 0.835 352 D CB 0.256 41.021 40.800 -0.059 0.000 0.966 352 D HN 0.031 nan 8.370 nan 0.000 0.476 353 S N 1.455 117.152 115.700 -0.005 0.000 2.481 353 S HA 0.122 4.592 4.470 0.000 0.000 0.282 353 S C 0.300 174.921 174.600 0.035 0.000 1.243 353 S CA -0.023 58.199 58.200 0.036 0.000 1.078 353 S CB 0.975 64.211 63.200 0.060 0.000 0.916 353 S HN 0.059 nan 8.310 nan 0.000 0.495 354 K N 1.510 121.937 120.400 0.044 0.000 2.295 354 K HA 0.710 5.030 4.320 0.000 0.000 0.239 354 K C -0.436 176.207 176.600 0.072 0.000 0.991 354 K CA -0.782 55.528 56.287 0.037 0.000 0.845 354 K CB 1.992 34.491 32.500 -0.002 0.000 1.197 354 K HN 0.479 nan 8.250 nan 0.000 0.441 355 S N -0.070 115.670 115.700 0.066 0.000 2.543 355 S HA 0.226 4.696 4.470 0.000 0.000 0.273 355 S C 0.387 175.020 174.600 0.056 0.000 1.152 355 S CA -0.655 57.590 58.200 0.076 0.000 0.910 355 S CB 1.652 64.915 63.200 0.105 0.000 1.105 355 S HN 0.708 nan 8.310 nan 0.000 0.465 356 R N 2.115 122.642 120.500 0.045 0.000 2.112 356 R HA -0.080 4.260 4.340 0.000 0.000 0.242 356 R C 1.398 177.711 176.300 0.023 0.000 1.137 356 R CA 2.207 58.324 56.100 0.028 0.000 0.944 356 R CB -0.421 29.892 30.300 0.022 0.000 0.857 356 R HN 0.704 nan 8.270 nan 0.000 0.435 357 L N 0.820 122.060 121.223 0.027 0.000 2.599 357 L HA 0.011 4.351 4.340 0.000 0.000 0.230 357 L C 0.710 177.577 176.870 -0.005 0.000 1.141 357 L CA -0.289 54.554 54.840 0.004 0.000 0.877 357 L CB -0.084 41.978 42.059 0.006 0.000 1.009 357 L HN 0.143 nan 8.230 nan 0.000 0.447 358 L N 1.741 122.990 121.223 0.044 0.000 2.544 358 L HA 0.115 4.455 4.340 0.000 0.000 0.240 358 L C -0.340 176.638 176.870 0.181 0.000 1.421 358 L CA 0.564 55.473 54.840 0.114 0.000 1.206 358 L CB -0.970 41.175 42.059 0.144 0.000 1.463 358 L HN 0.054 nan 8.230 nan 0.000 0.437 359 D N 0.454 120.855 120.400 0.002 0.000 2.757 359 D HA 0.414 5.054 4.640 0.000 0.000 0.249 359 D C 0.897 177.052 176.300 -0.241 0.000 1.168 359 D CA 0.081 53.965 54.000 -0.193 0.000 0.870 359 D CB 2.027 42.754 40.800 -0.122 0.000 1.411 359 D HN 0.157 nan 8.370 nan 0.000 0.525 360 A N 3.630 126.170 122.820 -0.467 0.000 1.948 360 A HA -0.066 4.254 4.320 0.000 0.000 0.220 360 A C 2.104 179.610 177.584 -0.129 0.000 1.177 360 A CA 2.349 54.230 52.037 -0.260 0.000 0.636 360 A CB -0.870 17.943 19.000 -0.311 0.000 0.815 360 A HN 0.726 nan 8.150 nan 0.000 0.449 361 A N -0.798 121.940 122.820 -0.137 0.000 1.908 361 A HA -0.042 4.278 4.320 0.000 0.000 0.218 361 A C 2.217 179.764 177.584 -0.062 0.000 1.181 361 A CA 2.128 54.115 52.037 -0.083 0.000 0.627 361 A CB -0.783 18.170 19.000 -0.079 0.000 0.818 361 A HN 0.495 nan 8.150 nan 0.000 0.445 362 V N -0.502 119.368 119.914 -0.073 0.000 2.500 362 V HA -0.099 4.021 4.120 0.000 0.000 0.243 362 V C 2.342 178.397 176.094 -0.065 0.000 1.039 362 V CA 1.659 63.924 62.300 -0.059 0.000 1.053 362 V CB -0.105 31.684 31.823 -0.057 0.000 0.695 362 V HN 0.565 nan 8.190 nan 0.000 0.463 363 V N -2.096 117.759 119.914 -0.099 0.000 3.644 363 V HA 0.727 4.847 4.120 0.000 0.000 0.267 363 V C 0.870 176.957 176.094 -0.012 0.000 1.277 363 V CA 0.214 62.421 62.300 -0.154 0.000 1.096 363 V CB -0.551 30.966 31.823 -0.511 0.000 0.828 363 V HN 0.807 nan 8.190 nan 0.000 0.446 364 G N 0.765 109.577 108.800 0.020 0.000 2.788 364 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 364 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 364 G C -0.177 174.793 174.900 0.116 0.000 1.147 364 G CA 0.211 45.353 45.100 0.071 0.000 0.755 364 G HN 0.427 nan 8.290 nan 0.000 0.634 365 Q N 0.232 120.088 119.800 0.095 0.000 2.084 365 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 365 Q C 2.324 178.427 176.000 0.171 0.000 0.978 365 Q CA 2.675 58.551 55.803 0.121 0.000 0.844 365 Q CB -0.189 28.597 28.738 0.080 0.000 0.898 365 Q HN 0.789 nan 8.270 nan 0.000 0.426 366 E N -0.952 119.333 120.200 0.141 0.000 2.058 366 E HA -0.279 4.072 4.350 0.000 0.000 0.194 366 E C 1.894 178.595 176.600 0.167 0.000 0.997 366 E CA 1.248 57.726 56.400 0.131 0.000 0.801 366 E CB -0.282 29.477 29.700 0.099 0.000 0.746 366 E HN 0.540 nan 8.360 nan 0.000 0.450 367 H N 0.004 119.127 119.070 0.087 0.000 2.251 367 H HA -0.233 4.323 4.556 0.000 0.000 0.294 367 H C 2.029 177.412 175.328 0.093 0.000 1.078 367 H CA 2.232 58.328 56.048 0.080 0.000 1.246 367 H CB -0.895 28.915 29.762 0.079 0.000 1.358 367 H HN 0.299 nan 8.280 nan 0.000 0.488 368 Y N 1.444 121.888 120.300 0.240 0.000 2.207 368 Y HA -0.192 4.358 4.550 0.000 0.000 0.287 368 Y C 2.138 178.097 175.900 0.099 0.000 1.156 368 Y CA 2.067 60.248 58.100 0.134 0.000 1.182 368 Y CB -0.339 38.148 38.460 0.045 0.000 0.979 368 Y HN 0.219 nan 8.280 nan 0.000 0.521 369 D N -0.601 119.880 120.400 0.136 0.000 2.117 369 D HA -0.174 4.466 4.640 0.000 0.000 0.197 369 D C 2.330 178.615 176.300 -0.025 0.000 0.987 369 D CA 1.643 55.664 54.000 0.034 0.000 0.829 369 D CB -0.299 40.563 40.800 0.103 0.000 0.961 369 D HN 0.288 nan 8.370 nan 0.000 0.460 370 V N 1.095 121.018 119.914 0.015 0.000 2.237 370 V HA -0.241 3.879 4.120 0.000 0.000 0.245 370 V C 2.512 178.576 176.094 -0.049 0.000 1.046 370 V CA 1.873 64.177 62.300 0.006 0.000 1.007 370 V CB -1.048 30.785 31.823 0.017 0.000 0.638 370 V HN 0.208 nan 8.190 nan 0.000 0.445 371 A N -0.092 122.687 122.820 -0.069 0.000 1.958 371 A HA -0.270 4.050 4.320 0.000 0.000 0.221 371 A C 2.451 179.930 177.584 -0.174 0.000 1.178 371 A CA 2.638 54.609 52.037 -0.111 0.000 0.642 371 A CB -0.769 18.224 19.000 -0.011 0.000 0.816 371 A HN 0.545 nan 8.150 nan 0.000 0.453 372 S N -0.508 115.026 115.700 -0.278 0.000 2.357 372 S HA -0.094 4.376 4.470 0.000 0.000 0.221 372 S C 1.924 176.440 174.600 -0.141 0.000 1.031 372 S CA 1.375 59.401 58.200 -0.290 0.000 0.982 372 S CB -0.200 62.713 63.200 -0.477 0.000 0.853 372 S HN 0.647 nan 8.310 nan 0.000 0.458 373 K N 0.954 121.297 120.400 -0.095 0.000 2.097 373 K HA -0.007 4.313 4.320 0.000 0.000 0.205 373 K C 1.991 178.582 176.600 -0.015 0.000 1.050 373 K CA 1.014 57.280 56.287 -0.036 0.000 0.938 373 K CB -0.410 32.086 32.500 -0.007 0.000 0.718 373 K HN 0.166 nan 8.250 nan 0.000 0.442 374 V N 1.876 121.780 119.914 -0.018 0.000 2.469 374 V HA -0.279 3.841 4.120 0.000 0.000 0.251 374 V C 2.177 178.258 176.094 -0.022 0.000 1.064 374 V CA 1.751 64.051 62.300 -0.000 0.000 1.066 374 V CB -0.505 31.282 31.823 -0.060 0.000 0.667 374 V HN 0.361 nan 8.190 nan 0.000 0.461 375 Q N -0.635 119.135 119.800 -0.050 0.000 2.062 375 Q HA -0.140 4.200 4.340 0.000 0.000 0.196 375 Q C 2.372 178.361 176.000 -0.018 0.000 0.967 375 Q CA 1.266 57.046 55.803 -0.039 0.000 0.832 375 Q CB -0.122 28.580 28.738 -0.059 0.000 0.899 375 Q HN 0.663 nan 8.270 nan 0.000 0.442 376 E N 0.083 120.269 120.200 -0.024 0.000 2.058 376 E HA -0.185 4.165 4.350 0.000 0.000 0.194 376 E C 2.043 178.649 176.600 0.010 0.000 0.997 376 E CA 1.711 58.106 56.400 -0.008 0.000 0.801 376 E CB -0.029 29.664 29.700 -0.013 0.000 0.746 376 E HN 0.342 nan 8.360 nan 0.000 0.450 377 T N 1.717 116.278 114.554 0.012 0.000 2.635 377 T HA -0.182 4.168 4.350 0.000 0.000 0.267 377 T C 1.974 176.700 174.700 0.044 0.000 1.040 377 T CA 1.047 63.160 62.100 0.021 0.000 1.156 377 T CB -0.286 68.591 68.868 0.015 0.000 0.863 377 T HN 0.102 nan 8.240 nan 0.000 0.430 378 L N 0.666 121.916 121.223 0.045 0.000 2.291 378 L HA -0.037 4.303 4.340 0.000 0.000 0.214 378 L C 2.767 179.691 176.870 0.090 0.000 1.120 378 L CA 0.784 55.673 54.840 0.082 0.000 0.799 378 L CB -0.319 41.775 42.059 0.059 0.000 0.925 378 L HN 0.203 nan 8.230 nan 0.000 0.446 379 Q N -0.483 119.347 119.800 0.049 0.000 2.311 379 Q HA -0.111 4.229 4.340 0.000 0.000 0.203 379 Q C 1.896 177.920 176.000 0.041 0.000 0.954 379 Q CA 1.632 57.454 55.803 0.032 0.000 0.885 379 Q CB -0.127 28.617 28.738 0.009 0.000 0.963 379 Q HN 0.310 nan 8.270 nan 0.000 0.471 380 T N -0.380 114.211 114.554 0.061 0.000 2.851 380 T HA -0.097 4.253 4.350 0.000 0.000 0.262 380 T C 1.105 175.870 174.700 0.108 0.000 1.043 380 T CA 1.059 63.198 62.100 0.065 0.000 1.140 380 T CB -0.498 68.405 68.868 0.059 0.000 0.872 380 T HN 0.341 nan 8.240 nan 0.000 0.446 381 Y N 2.110 122.403 120.300 -0.011 0.000 2.207 381 Y HA -0.056 4.494 4.550 0.000 0.000 0.287 381 Y C 2.334 178.226 175.900 -0.014 0.000 1.156 381 Y CA 1.115 59.207 58.100 -0.012 0.000 1.182 381 Y CB -0.181 38.272 38.460 -0.012 0.000 0.979 381 Y HN 0.048 nan 8.280 nan 0.000 0.521 382 K N -1.109 119.276 120.400 -0.025 0.000 2.167 382 K HA -0.071 4.249 4.320 0.000 0.000 0.203 382 K C 2.185 178.732 176.600 -0.088 0.000 1.052 382 K CA 1.176 57.402 56.287 -0.102 0.000 0.956 382 K CB -0.058 32.421 32.500 -0.035 0.000 0.735 382 K HN 0.169 nan 8.250 nan 0.000 0.451 383 S N 0.816 116.490 115.700 -0.043 0.000 2.436 383 S HA 0.047 4.517 4.470 0.000 0.000 0.228 383 S C 1.517 176.090 174.600 -0.044 0.000 1.014 383 S CA 0.564 58.743 58.200 -0.035 0.000 0.950 383 S CB 0.062 63.255 63.200 -0.012 0.000 0.784 383 S HN 0.260 nan 8.310 nan 0.000 0.504 384 L N 1.859 123.052 121.223 -0.049 0.000 2.554 384 L HA -0.006 4.334 4.340 0.000 0.000 0.226 384 L C 2.603 179.419 176.870 -0.090 0.000 1.137 384 L CA 0.339 55.153 54.840 -0.043 0.000 0.863 384 L CB -0.371 41.694 42.059 0.009 0.000 0.985 384 L HN 0.463 nan 8.230 nan 0.000 0.451 385 Q N -0.651 119.056 119.800 -0.155 0.000 2.167 385 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 385 Q C 1.008 176.944 176.000 -0.107 0.000 0.970 385 Q CA 1.653 57.345 55.803 -0.184 0.000 0.855 385 Q CB -0.267 28.314 28.738 -0.261 0.000 0.911 385 Q HN 0.285 nan 8.270 nan 0.000 0.438 386 D N 0.804 121.156 120.400 -0.080 0.000 2.310 386 D HA 0.017 4.657 4.640 0.000 0.000 0.212 386 D C 1.621 177.896 176.300 -0.041 0.000 0.965 386 D CA 0.722 54.690 54.000 -0.054 0.000 0.879 386 D CB 0.114 40.888 40.800 -0.044 0.000 0.921 386 D HN 0.327 nan 8.370 nan 0.000 0.510 387 I N 0.350 120.896 120.570 -0.040 0.000 2.296 387 I HA -0.151 4.019 4.170 0.000 0.000 0.242 387 I C 1.783 177.887 176.117 -0.023 0.000 1.087 387 I CA 0.436 61.721 61.300 -0.025 0.000 1.393 387 I CB 0.046 38.035 38.000 -0.017 0.000 1.093 387 I HN -0.009 nan 8.210 nan 0.000 0.421 388 I N 1.241 121.794 120.570 -0.029 0.000 2.361 388 I HA -0.219 3.951 4.170 0.000 0.000 0.251 388 I C 2.743 178.847 176.117 -0.022 0.000 1.133 388 I CA 1.453 62.742 61.300 -0.019 0.000 1.413 388 I CB -1.896 36.093 38.000 -0.018 0.000 1.073 388 I HN 0.139 nan 8.210 nan 0.000 0.424 389 A N 0.865 123.664 122.820 -0.035 0.000 1.968 389 A HA -0.049 4.271 4.320 0.000 0.000 0.217 389 A C 2.249 179.821 177.584 -0.021 0.000 1.169 389 A CA 1.321 53.340 52.037 -0.030 0.000 0.638 389 A CB -0.447 18.530 19.000 -0.039 0.000 0.812 389 A HN 0.365 nan 8.150 nan 0.000 0.446 390 I N -2.042 118.516 120.570 -0.020 0.000 3.526 390 I HA 0.120 4.290 4.170 0.000 0.000 0.294 390 I C 0.959 177.070 176.117 -0.010 0.000 1.229 390 I CA 0.795 62.087 61.300 -0.014 0.000 1.408 390 I CB 0.453 38.444 38.000 -0.015 0.000 1.127 390 I HN 0.129 nan 8.210 nan 0.000 0.439 391 L N -0.476 120.742 121.223 -0.009 0.000 3.298 391 L HA 0.532 4.872 4.340 0.000 0.000 0.296 391 L C 0.774 177.644 176.870 -0.001 0.000 1.237 391 L CA 0.011 54.848 54.840 -0.004 0.000 1.038 391 L CB 0.312 42.368 42.059 -0.004 0.000 1.423 391 L HN 0.206 nan 8.230 nan 0.000 0.605 392 G N 0.439 109.238 108.800 -0.002 0.000 2.698 392 G HA2 -0.382 3.578 3.960 0.000 0.000 0.233 392 G HA3 -0.382 3.578 3.960 0.000 0.000 0.233 392 G C 0.366 175.272 174.900 0.009 0.000 1.352 392 G CA 0.348 45.450 45.100 0.003 0.000 0.879 392 G HN 0.098 nan 8.290 nan 0.000 0.567 393 M N -1.009 118.599 119.600 0.015 0.000 2.388 393 M HA 0.180 4.660 4.480 0.000 0.000 0.265 393 M C 1.816 178.126 176.300 0.016 0.000 1.088 393 M CA 2.303 57.616 55.300 0.022 0.000 1.134 393 M CB -0.280 32.335 32.600 0.026 0.000 1.384 393 M HN 0.643 nan 8.290 nan 0.000 0.447 394 D N -0.063 120.344 120.400 0.011 0.000 2.221 394 D HA -0.222 4.418 4.640 0.000 0.000 0.204 394 D C 1.775 178.080 176.300 0.008 0.000 0.982 394 D CA 1.201 55.206 54.000 0.009 0.000 0.857 394 D CB 0.085 40.889 40.800 0.006 0.000 0.934 394 D HN 0.440 nan 8.370 nan 0.000 0.475 395 E N -0.652 119.553 120.200 0.007 0.000 2.371 395 E HA 0.095 4.445 4.350 0.000 0.000 0.194 395 E C 0.333 176.937 176.600 0.008 0.000 1.012 395 E CA -0.026 56.378 56.400 0.006 0.000 0.860 395 E CB -0.000 29.702 29.700 0.003 0.000 0.811 395 E HN 0.312 nan 8.360 nan 0.000 0.502 396 L N 1.112 122.342 121.223 0.012 0.000 2.461 396 L HA 0.037 4.377 4.340 0.000 0.000 0.272 396 L C 0.664 177.541 176.870 0.013 0.000 1.197 396 L CA -0.175 54.674 54.840 0.015 0.000 0.836 396 L CB 0.730 42.803 42.059 0.024 0.000 1.105 396 L HN 0.079 nan 8.230 nan 0.000 0.477 397 S N 1.678 117.386 115.700 0.012 0.000 2.558 397 S HA -0.051 4.419 4.470 0.000 0.000 0.291 397 S C 1.249 175.855 174.600 0.010 0.000 1.306 397 S CA -0.503 57.703 58.200 0.010 0.000 1.056 397 S CB 0.604 63.810 63.200 0.010 0.000 0.836 397 S HN 0.603 nan 8.310 nan 0.000 0.504 398 E N 2.836 123.040 120.200 0.007 0.000 2.160 398 E HA -0.202 4.148 4.350 0.000 0.000 0.195 398 E C 1.772 178.375 176.600 0.005 0.000 0.991 398 E CA 1.211 57.615 56.400 0.006 0.000 0.810 398 E CB -0.262 29.440 29.700 0.004 0.000 0.742 398 E HN 0.818 nan 8.360 nan 0.000 0.466 399 Q N 0.315 120.119 119.800 0.006 0.000 2.212 399 Q HA -0.110 4.230 4.340 0.000 0.000 0.199 399 Q C 1.235 177.240 176.000 0.009 0.000 0.950 399 Q CA 0.742 56.549 55.803 0.006 0.000 0.863 399 Q CB 0.270 29.012 28.738 0.006 0.000 0.944 399 Q HN 0.133 nan 8.270 nan 0.000 0.465 400 D N 0.860 121.268 120.400 0.014 0.000 2.097 400 D HA -0.134 4.506 4.640 0.000 0.000 0.195 400 D C 1.706 178.022 176.300 0.025 0.000 0.989 400 D CA 1.103 55.117 54.000 0.023 0.000 0.827 400 D CB 0.029 40.845 40.800 0.026 0.000 0.966 400 D HN 0.170 nan 8.370 nan 0.000 0.456 401 K N 0.089 120.500 120.400 0.020 0.000 2.089 401 K HA -0.187 4.133 4.320 0.000 0.000 0.210 401 K C 2.031 178.631 176.600 0.000 0.000 1.048 401 K CA 0.727 57.023 56.287 0.016 0.000 0.926 401 K CB -0.246 32.260 32.500 0.011 0.000 0.714 401 K HN 0.057 nan 8.250 nan 0.000 0.448 402 L N 1.063 122.284 121.223 -0.004 0.000 2.027 402 L HA -0.146 4.194 4.340 0.000 0.000 0.206 402 L C 1.997 178.848 176.870 -0.032 0.000 1.074 402 L CA 1.975 56.805 54.840 -0.017 0.000 0.745 402 L CB -0.878 41.175 42.059 -0.010 0.000 0.898 402 L HN 0.079 nan 8.230 nan 0.000 0.433 403 T N -1.055 113.488 114.554 -0.019 0.000 2.788 403 T HA -0.144 4.206 4.350 0.000 0.000 0.268 403 T C 2.004 176.667 174.700 -0.063 0.000 1.044 403 T CA 1.516 63.600 62.100 -0.027 0.000 1.139 403 T CB -0.319 68.552 68.868 0.004 0.000 0.867 403 T HN 0.196 nan 8.240 nan 0.000 0.454 404 V N 1.436 121.330 119.914 -0.033 0.000 2.343 404 V HA -0.138 3.982 4.120 0.000 0.000 0.247 404 V C 2.582 178.550 176.094 -0.210 0.000 1.051 404 V CA 1.570 63.822 62.300 -0.081 0.000 1.036 404 V CB -0.426 31.455 31.823 0.097 0.000 0.654 404 V HN 0.524 nan 8.190 nan 0.000 0.451 405 E N -0.336 119.791 120.200 -0.122 0.000 2.110 405 E HA -0.202 4.148 4.350 0.000 0.000 0.193 405 E C 2.482 178.966 176.600 -0.193 0.000 0.988 405 E CA 1.035 57.356 56.400 -0.131 0.000 0.804 405 E CB -0.115 29.542 29.700 -0.071 0.000 0.745 405 E HN 0.542 nan 8.360 nan 0.000 0.458 406 R N 0.291 120.684 120.500 -0.179 0.000 2.073 406 R HA -0.033 4.307 4.340 0.000 0.000 0.229 406 R C 2.409 178.554 176.300 -0.257 0.000 1.120 406 R CA 0.963 56.940 56.100 -0.205 0.000 0.967 406 R CB -0.273 29.954 30.300 -0.121 0.000 0.862 406 R HN 0.063 nan 8.270 nan 0.000 0.436 407 A N 1.492 124.148 122.820 -0.273 0.000 1.940 407 A HA -0.199 4.121 4.320 0.000 0.000 0.219 407 A C 2.096 179.455 177.584 -0.375 0.000 1.176 407 A CA 1.304 53.152 52.037 -0.316 0.000 0.631 407 A CB -0.402 18.338 19.000 -0.432 0.000 0.814 407 A HN 0.243 nan 8.150 nan 0.000 0.446 408 R N -0.080 120.141 120.500 -0.464 0.000 2.091 408 R HA -0.151 4.189 4.340 0.000 0.000 0.238 408 R C 2.187 178.335 176.300 -0.253 0.000 1.136 408 R CA 1.769 57.670 56.100 -0.331 0.000 0.959 408 R CB -0.339 29.803 30.300 -0.263 0.000 0.856 408 R HN 0.581 nan 8.270 nan 0.000 0.437 409 K N 0.493 120.652 120.400 -0.402 0.000 2.026 409 K HA -0.103 4.217 4.320 0.000 0.000 0.208 409 K C 2.143 178.482 176.600 -0.435 0.000 1.048 409 K CA 1.301 57.151 56.287 -0.728 0.000 0.929 409 K CB -0.242 31.358 32.500 -1.500 0.000 0.713 409 K HN 0.122 nan 8.250 nan 0.000 0.439 410 I N 1.525 121.939 120.570 -0.260 0.000 2.163 410 I HA -0.306 3.864 4.170 0.000 0.000 0.243 410 I C 2.789 179.043 176.117 0.228 0.000 1.085 410 I CA 1.366 62.710 61.300 0.074 0.000 1.347 410 I CB -0.153 37.934 38.000 0.144 0.000 1.044 410 I HN 0.266 nan 8.210 nan 0.000 0.408 411 Q N 0.379 120.227 119.800 0.082 0.000 2.291 411 Q HA -0.151 4.189 4.340 0.000 0.000 0.205 411 Q C 2.129 178.218 176.000 0.147 0.000 0.970 411 Q CA 1.133 56.998 55.803 0.105 0.000 0.876 411 Q CB 0.181 28.947 28.738 0.046 0.000 0.935 411 Q HN 0.416 nan 8.270 nan 0.000 0.455 412 R N -1.363 119.230 120.500 0.155 0.000 2.223 412 R HA 0.023 4.363 4.340 0.000 0.000 0.198 412 R C 1.523 178.033 176.300 0.350 0.000 0.984 412 R CA 0.087 56.334 56.100 0.246 0.000 1.018 412 R CB 0.181 30.603 30.300 0.204 0.000 0.945 412 R HN 0.144 nan 8.270 nan 0.000 0.479 413 F N 0.930 120.963 119.950 0.139 0.000 2.604 413 F HA 0.082 4.609 4.527 -0.000 0.000 0.298 413 F C 1.196 177.163 175.800 0.278 0.000 1.131 413 F CA 0.763 58.846 58.000 0.139 0.000 1.457 413 F CB 0.112 39.033 39.000 -0.131 0.000 1.095 413 F HN -0.075 nan 8.300 nan 0.000 0.574 414 L N -0.765 120.675 121.223 0.361 0.000 2.558 414 L HA 0.060 4.400 4.340 0.000 0.000 0.225 414 L C 0.916 177.857 176.870 0.118 0.000 1.128 414 L CA 0.002 54.957 54.840 0.191 0.000 0.868 414 L CB -0.569 41.575 42.059 0.142 0.000 1.006 414 L HN -0.180 nan 8.230 nan 0.000 0.454 415 S N 0.767 116.548 115.700 0.136 0.000 2.549 415 S HA 0.225 4.695 4.470 0.000 0.000 0.279 415 S C -0.142 174.444 174.600 -0.022 0.000 1.321 415 S CA -0.156 58.071 58.200 0.045 0.000 1.054 415 S CB 1.168 64.384 63.200 0.027 0.000 0.899 415 S HN 0.226 nan 8.310 nan 0.000 0.497 416 Q N 2.444 122.180 119.800 -0.106 0.000 2.271 416 Q HA 0.328 4.668 4.340 0.000 0.000 0.268 416 Q C -2.908 172.956 176.000 -0.226 0.000 1.021 416 Q CA -2.230 53.507 55.803 -0.110 0.000 0.802 416 Q CB 2.123 30.859 28.738 -0.003 0.000 1.282 416 Q HN 0.310 nan 8.270 nan 0.000 0.431 417 P HA 0.125 nan 4.420 nan 0.000 0.276 417 P C -0.890 176.460 177.300 0.084 0.000 1.264 417 P CA -0.015 63.043 63.100 -0.070 0.000 0.769 417 P CB 0.173 31.856 31.700 -0.029 0.000 0.840 418 F N 1.988 121.947 119.950 0.015 0.000 2.403 418 F HA 0.330 4.857 4.527 0.000 0.000 0.320 418 F C 1.939 177.733 175.800 -0.010 0.000 1.176 418 F CA -1.050 56.944 58.000 -0.010 0.000 1.206 418 F CB -0.443 38.551 39.000 -0.011 0.000 1.235 418 F HN 0.358 nan 8.300 nan 0.000 0.565 419 A N 1.138 124.062 122.820 0.174 0.000 1.872 419 A HA -0.014 4.306 4.320 0.000 0.000 0.214 419 A C 2.009 179.626 177.584 0.056 0.000 1.187 419 A CA 1.470 53.549 52.037 0.070 0.000 0.614 419 A CB -1.049 17.957 19.000 0.011 0.000 0.826 419 A HN 0.515 nan 8.150 nan 0.000 0.442 420 V N -0.124 119.825 119.914 0.058 0.000 2.867 420 V HA -0.137 3.983 4.120 0.000 0.000 0.260 420 V C 2.602 178.753 176.094 0.095 0.000 1.099 420 V CA 1.568 63.895 62.300 0.046 0.000 1.122 420 V CB -1.187 30.660 31.823 0.039 0.000 0.708 420 V HN 0.569 nan 8.190 nan 0.000 0.490 421 A N -0.342 122.590 122.820 0.187 0.000 2.178 421 A HA -0.017 4.303 4.320 0.000 0.000 0.211 421 A C 2.176 179.838 177.584 0.130 0.000 1.157 421 A CA 0.786 52.973 52.037 0.250 0.000 0.780 421 A CB -0.298 18.858 19.000 0.260 0.000 0.828 421 A HN 0.565 nan 8.150 nan 0.000 0.476 422 E N 0.602 120.830 120.200 0.046 0.000 2.160 422 E HA -0.172 4.178 4.350 0.000 0.000 0.195 422 E C 1.736 178.301 176.600 -0.058 0.000 0.991 422 E CA 1.775 58.178 56.400 0.005 0.000 0.810 422 E CB -0.243 29.455 29.700 -0.004 0.000 0.742 422 E HN 0.538 nan 8.360 nan 0.000 0.466 423 V N -1.418 118.391 119.914 -0.174 0.000 3.026 423 V HA -0.153 3.967 4.120 0.000 0.000 0.265 423 V C 1.509 177.365 176.094 -0.397 0.000 1.121 423 V CA 1.211 63.323 62.300 -0.313 0.000 1.142 423 V CB -0.808 30.752 31.823 -0.438 0.000 0.730 423 V HN 0.142 nan 8.190 nan 0.000 0.503 424 F N 1.782 121.715 119.950 -0.027 0.000 2.419 424 F HA 0.140 4.667 4.527 0.000 0.000 0.283 424 F C 2.677 178.455 175.800 -0.037 0.000 1.044 424 F CA 1.286 59.258 58.000 -0.046 0.000 1.376 424 F CB -1.034 37.907 39.000 -0.099 0.000 1.131 424 F HN 0.232 nan 8.300 nan 0.000 0.585 425 T N -3.221 111.420 114.554 0.145 0.000 3.065 425 T HA 0.370 4.720 4.350 0.000 0.000 0.252 425 T C 2.018 176.751 174.700 0.055 0.000 1.099 425 T CA 0.728 62.879 62.100 0.084 0.000 1.063 425 T CB -0.059 68.840 68.868 0.051 0.000 0.948 425 T HN 0.466 nan 8.240 nan 0.000 0.506 426 G N 2.003 110.824 108.800 0.035 0.000 2.480 426 G HA2 -0.302 3.658 3.960 0.000 0.000 0.246 426 G HA3 -0.302 3.658 3.960 0.000 0.000 0.246 426 G C 0.176 175.085 174.900 0.015 0.000 1.073 426 G CA 0.310 45.421 45.100 0.019 0.000 0.643 426 G HN 0.691 nan 8.290 nan 0.000 0.525 427 I N 4.505 125.087 120.570 0.020 0.000 2.683 427 I HA 0.218 4.388 4.170 0.000 0.000 0.286 427 I C -1.332 174.792 176.117 0.012 0.000 1.175 427 I CA -1.511 59.796 61.300 0.012 0.000 1.429 427 I CB 0.498 38.499 38.000 0.001 0.000 1.371 427 I HN 0.031 nan 8.210 nan 0.000 0.569 428 P HA 0.003 nan 4.420 nan 0.000 0.265 428 P C 0.047 177.360 177.300 0.022 0.000 1.193 428 P CA -0.167 62.940 63.100 0.012 0.000 0.765 428 P CB 0.355 32.059 31.700 0.007 0.000 0.823 429 G N 4.004 112.823 108.800 0.032 0.000 2.335 429 G HA2 0.079 4.039 3.960 0.000 0.000 0.268 429 G HA3 0.079 4.039 3.960 0.000 0.000 0.268 429 G C 0.082 175.013 174.900 0.052 0.000 1.228 429 G CA -0.351 44.785 45.100 0.060 0.000 0.968 429 G HN 0.305 nan 8.290 nan 0.000 0.459 430 K N 1.903 122.343 120.400 0.066 0.000 2.130 430 K HA 0.419 4.739 4.320 0.000 0.000 0.268 430 K C -0.710 175.930 176.600 0.067 0.000 0.983 430 K CA -0.665 55.654 56.287 0.053 0.000 0.893 430 K CB 2.560 35.085 32.500 0.043 0.000 1.066 430 K HN 0.403 nan 8.250 nan 0.000 0.450 431 L N 2.624 123.870 121.223 0.039 0.000 2.406 431 L HA 0.295 4.636 4.340 0.000 0.000 0.270 431 L C -1.256 175.625 176.870 0.018 0.000 0.982 431 L CA -0.793 54.061 54.840 0.024 0.000 0.843 431 L CB 1.639 43.700 42.059 0.002 0.000 1.225 431 L HN 0.219 nan 8.230 nan 0.000 0.412 432 V N 4.625 124.549 119.914 0.017 0.000 2.472 432 V HA 0.552 4.672 4.120 0.000 0.000 0.290 432 V C 0.171 176.266 176.094 0.002 0.000 1.037 432 V CA -0.888 61.419 62.300 0.010 0.000 0.908 432 V CB 1.459 33.282 31.823 0.000 0.000 0.985 432 V HN 0.650 nan 8.190 nan 0.000 0.454 433 R N 2.557 123.061 120.500 0.006 0.000 2.560 433 R HA 0.318 4.658 4.340 0.000 0.000 0.270 433 R C 1.103 177.406 176.300 0.004 0.000 1.074 433 R CA -0.582 55.522 56.100 0.007 0.000 1.140 433 R CB 0.618 30.926 30.300 0.013 0.000 1.073 433 R HN 0.723 nan 8.270 nan 0.000 0.527 434 L N 1.917 123.146 121.223 0.011 0.000 2.027 434 L HA -0.164 4.176 4.340 0.000 0.000 0.206 434 L C 1.955 178.822 176.870 -0.005 0.000 1.074 434 L CA 1.787 56.635 54.840 0.012 0.000 0.745 434 L CB -0.080 42.011 42.059 0.054 0.000 0.898 434 L HN 0.519 nan 8.230 nan 0.000 0.433 435 K N -0.451 119.958 120.400 0.016 0.000 2.097 435 K HA -0.154 4.166 4.320 0.000 0.000 0.205 435 K C 1.734 178.343 176.600 0.016 0.000 1.050 435 K CA 1.435 57.732 56.287 0.016 0.000 0.938 435 K CB -0.278 32.240 32.500 0.031 0.000 0.718 435 K HN 0.448 nan 8.250 nan 0.000 0.442 436 D N 0.521 120.934 120.400 0.022 0.000 2.097 436 D HA -0.120 4.520 4.640 0.000 0.000 0.195 436 D C 1.876 178.202 176.300 0.044 0.000 0.989 436 D CA 1.510 55.532 54.000 0.037 0.000 0.827 436 D CB -0.236 40.585 40.800 0.036 0.000 0.966 436 D HN 0.179 nan 8.370 nan 0.000 0.456 437 T N 1.206 115.768 114.554 0.013 0.000 2.652 437 T HA -0.131 4.219 4.350 0.000 0.000 0.267 437 T C 2.347 177.081 174.700 0.056 0.000 1.039 437 T CA 1.198 63.308 62.100 0.016 0.000 1.153 437 T CB -0.612 68.221 68.868 -0.058 0.000 0.863 437 T HN -0.031 nan 8.240 nan 0.000 0.428 438 V N 1.983 121.865 119.914 -0.055 0.000 2.255 438 V HA -0.199 3.921 4.120 0.000 0.000 0.247 438 V C 2.976 179.096 176.094 0.043 0.000 1.051 438 V CA 1.812 64.060 62.300 -0.087 0.000 1.018 438 V CB -1.356 30.336 31.823 -0.218 0.000 0.641 438 V HN 0.580 nan 8.190 nan 0.000 0.445 439 A N -0.480 122.371 122.820 0.052 0.000 1.972 439 A HA -0.195 4.125 4.320 0.000 0.000 0.219 439 A C 2.447 180.105 177.584 0.124 0.000 1.169 439 A CA 2.229 54.315 52.037 0.082 0.000 0.635 439 A CB -0.559 18.483 19.000 0.069 0.000 0.810 439 A HN 0.536 nan 8.150 nan 0.000 0.446 440 S N -1.171 114.620 115.700 0.153 0.000 2.357 440 S HA -0.007 4.463 4.470 0.000 0.000 0.221 440 S C 1.550 176.281 174.600 0.218 0.000 1.031 440 S CA 1.130 59.450 58.200 0.201 0.000 0.982 440 S CB -0.466 62.904 63.200 0.284 0.000 0.853 440 S HN 0.552 nan 8.310 nan 0.000 0.458 441 F N 1.970 122.007 119.950 0.145 0.000 2.325 441 F HA 0.107 4.634 4.527 -0.000 0.000 0.299 441 F C 2.256 178.110 175.800 0.089 0.000 1.090 441 F CA 0.779 58.858 58.000 0.132 0.000 1.392 441 F CB -0.079 38.934 39.000 0.022 0.000 1.053 441 F HN 0.078 nan 8.300 nan 0.000 0.521 442 K N 0.484 121.015 120.400 0.218 0.000 2.025 442 K HA -0.153 4.167 4.320 0.000 0.000 0.207 442 K C 2.323 179.004 176.600 0.135 0.000 1.049 442 K CA 1.170 57.544 56.287 0.144 0.000 0.933 442 K CB -0.310 32.255 32.500 0.108 0.000 0.714 442 K HN 0.185 nan 8.250 nan 0.000 0.438 443 A N 0.855 123.767 122.820 0.153 0.000 1.873 443 A HA -0.158 4.162 4.320 0.000 0.000 0.218 443 A C 2.249 179.966 177.584 0.221 0.000 1.193 443 A CA 2.015 54.170 52.037 0.197 0.000 0.629 443 A CB -0.856 18.315 19.000 0.284 0.000 0.826 443 A HN 0.195 nan 8.150 nan 0.000 0.447 444 V N -0.098 119.920 119.914 0.173 0.000 2.490 444 V HA -0.236 3.884 4.120 0.000 0.000 0.250 444 V C 2.532 178.666 176.094 0.067 0.000 1.061 444 V CA 1.784 64.154 62.300 0.115 0.000 1.064 444 V CB -0.773 31.005 31.823 -0.076 0.000 0.670 444 V HN 0.541 nan 8.190 nan 0.000 0.461 445 L N -0.209 121.064 121.223 0.083 0.000 2.017 445 L HA -0.175 4.165 4.340 0.000 0.000 0.208 445 L C 2.231 179.133 176.870 0.054 0.000 1.073 445 L CA 1.635 56.516 54.840 0.068 0.000 0.745 445 L CB -0.485 41.627 42.059 0.088 0.000 0.894 445 L HN 0.336 nan 8.230 nan 0.000 0.432 446 E N -0.034 120.207 120.200 0.068 0.000 2.461 446 E HA -0.002 4.348 4.350 0.000 0.000 0.196 446 E C 1.144 177.767 176.600 0.038 0.000 1.129 446 E CA 0.433 56.863 56.400 0.050 0.000 0.902 446 E CB -0.165 29.567 29.700 0.053 0.000 0.963 446 E HN 0.568 nan 8.360 nan 0.000 0.503 447 G N 1.928 110.754 108.800 0.043 0.000 2.153 447 G HA2 -0.359 3.601 3.960 0.000 0.000 0.252 447 G HA3 -0.359 3.601 3.960 0.000 0.000 0.252 447 G C 0.725 175.632 174.900 0.011 0.000 0.994 447 G CA 0.501 45.616 45.100 0.026 0.000 0.698 447 G HN 0.318 nan 8.290 nan 0.000 0.521 448 K N -1.006 119.406 120.400 0.020 0.000 2.487 448 K HA 0.231 4.551 4.320 0.000 0.000 0.192 448 K C 0.517 176.889 176.600 -0.380 0.000 1.027 448 K CA 0.609 56.808 56.287 -0.146 0.000 1.054 448 K CB 0.242 32.654 32.500 -0.146 0.000 0.824 448 K HN 0.570 nan 8.250 nan 0.000 0.510 449 Y N -0.505 119.814 120.300 0.032 0.000 2.809 449 Y HA 0.096 4.646 4.550 -0.000 0.000 0.251 449 Y C 0.330 176.297 175.900 0.111 0.000 1.136 449 Y CA -0.598 57.550 58.100 0.081 0.000 1.185 449 Y CB 0.659 39.211 38.460 0.154 0.000 1.260 449 Y HN -0.035 nan 8.280 nan 0.000 0.576 450 D N 0.350 120.824 120.400 0.125 0.000 2.350 450 D HA -0.133 4.507 4.640 0.000 0.000 0.216 450 D C 1.643 177.986 176.300 0.072 0.000 0.968 450 D CA 1.088 55.130 54.000 0.071 0.000 0.894 450 D CB -0.011 40.800 40.800 0.019 0.000 0.909 450 D HN 0.510 nan 8.370 nan 0.000 0.520 451 N N 0.393 119.137 118.700 0.073 0.000 2.395 451 N HA -0.076 4.664 4.740 0.000 0.000 0.175 451 N C 0.821 176.381 175.510 0.084 0.000 1.029 451 N CA -0.015 53.068 53.050 0.054 0.000 0.897 451 N CB 0.094 38.590 38.487 0.015 0.000 0.991 451 N HN 0.159 nan 8.380 nan 0.000 0.441 452 I N 2.632 123.287 120.570 0.143 0.000 2.556 452 I HA 0.100 4.270 4.170 0.000 0.000 0.284 452 I C -1.840 174.389 176.117 0.187 0.000 1.114 452 I CA -1.608 59.762 61.300 0.117 0.000 1.418 452 I CB 0.653 38.681 38.000 0.047 0.000 1.394 452 I HN -0.075 nan 8.210 nan 0.000 0.552 453 P HA -0.069 nan 4.420 nan 0.000 0.270 453 P C 0.499 177.922 177.300 0.205 0.000 1.221 453 P CA -0.028 63.144 63.100 0.121 0.000 0.788 453 P CB 0.593 32.337 31.700 0.074 0.000 0.904 454 E N 1.140 121.437 120.200 0.161 0.000 2.065 454 E HA -0.304 4.046 4.350 0.000 0.000 0.201 454 E C 1.696 178.418 176.600 0.202 0.000 1.016 454 E CA 1.938 58.431 56.400 0.155 0.000 0.818 454 E CB -0.759 28.997 29.700 0.093 0.000 0.749 454 E HN 0.571 nan 8.360 nan 0.000 0.453 455 H N -1.023 118.108 119.070 0.101 0.000 2.495 455 H HA 0.199 4.755 4.556 -0.000 0.000 0.287 455 H C 1.686 177.096 175.328 0.136 0.000 1.033 455 H CA 1.106 57.222 56.048 0.115 0.000 1.307 455 H CB -0.101 29.706 29.762 0.076 0.000 1.401 455 H HN 0.290 nan 8.280 nan 0.000 0.555 456 A N 0.052 122.948 122.820 0.126 0.000 1.908 456 A HA -0.182 4.138 4.320 0.000 0.000 0.218 456 A C 1.802 179.255 177.584 -0.220 0.000 1.181 456 A CA 1.581 53.562 52.037 -0.094 0.000 0.627 456 A CB -0.998 17.827 19.000 -0.291 0.000 0.818 456 A HN 0.474 nan 8.150 nan 0.000 0.445 457 F N -2.163 117.717 119.950 -0.116 0.000 2.502 457 F HA 0.075 4.602 4.527 0.000 0.000 0.298 457 F C 0.971 176.767 175.800 -0.006 0.000 1.111 457 F CA 0.336 58.220 58.000 -0.194 0.000 1.445 457 F CB -0.414 38.440 39.000 -0.242 0.000 1.081 457 F HN 0.344 nan 8.300 nan 0.000 0.558 458 Y N 0.692 120.991 120.300 -0.002 0.000 2.304 458 Y HA 0.359 4.910 4.550 0.001 0.000 0.328 458 Y C 0.720 176.596 175.900 -0.041 0.000 1.123 458 Y CA -1.957 56.110 58.100 -0.056 0.000 1.218 458 Y CB 0.624 38.927 38.460 -0.262 0.000 1.207 458 Y HN 0.107 nan 8.280 nan 0.000 0.495 459 M N 4.949 124.172 119.600 -0.628 0.000 2.297 459 M HA -0.165 4.315 4.480 0.000 0.000 0.200 459 M C -1.693 174.461 176.300 -0.245 0.000 0.414 459 M CA 1.241 56.165 55.300 -0.628 0.000 0.449 459 M CB -1.719 30.208 32.600 -1.120 0.000 1.436 459 M HN 0.524 nan 8.290 nan 0.000 0.912 460 V N -4.112 115.750 119.914 -0.087 0.000 3.087 460 V HA 1.106 5.226 4.120 0.000 0.000 0.311 460 V C 0.862 176.989 176.094 0.055 0.000 1.333 460 V CA -0.353 61.942 62.300 -0.008 0.000 1.054 460 V CB 1.033 32.859 31.823 0.004 0.000 1.123 460 V HN 0.384 nan 8.190 nan 0.000 0.473 461 G N -0.646 108.198 108.800 0.075 0.000 3.411 461 G HA2 0.588 4.548 3.960 0.000 0.000 0.186 461 G HA3 0.588 4.548 3.960 0.000 0.000 0.186 461 G C 0.523 175.514 174.900 0.152 0.000 1.766 461 G CA -0.059 45.091 45.100 0.083 0.000 0.971 461 G HN 1.308 nan 8.290 nan 0.000 0.590 462 G N -0.853 108.019 108.800 0.120 0.000 2.570 462 G HA2 0.302 4.262 3.960 0.000 0.000 0.276 462 G HA3 0.302 4.262 3.960 0.000 0.000 0.276 462 G C 0.905 175.963 174.900 0.262 0.000 1.346 462 G CA 0.040 45.240 45.100 0.166 0.000 1.034 462 G HN 0.394 nan 8.290 nan 0.000 0.512 463 I N -0.642 120.068 120.570 0.233 0.000 2.361 463 I HA -0.074 4.096 4.170 0.000 0.000 0.251 463 I C 2.510 178.564 176.117 -0.104 0.000 1.133 463 I CA 1.387 62.694 61.300 0.012 0.000 1.413 463 I CB -0.218 37.757 38.000 -0.042 0.000 1.073 463 I HN 0.670 nan 8.210 nan 0.000 0.424 464 E N 0.400 120.589 120.200 -0.019 0.000 2.058 464 E HA -0.268 4.082 4.350 0.000 0.000 0.194 464 E C 1.686 178.255 176.600 -0.052 0.000 0.997 464 E CA 1.797 58.182 56.400 -0.025 0.000 0.801 464 E CB -0.186 29.517 29.700 0.004 0.000 0.746 464 E HN 0.564 nan 8.360 nan 0.000 0.450 465 D N -0.070 120.309 120.400 -0.035 0.000 2.178 465 D HA -0.127 4.513 4.640 0.000 0.000 0.201 465 D C 1.987 178.215 176.300 -0.119 0.000 0.980 465 D CA 0.610 54.583 54.000 -0.045 0.000 0.842 465 D CB -0.217 40.583 40.800 -0.000 0.000 0.948 465 D HN 0.062 nan 8.370 nan 0.000 0.472 466 V N 0.394 120.176 119.914 -0.221 0.000 2.427 466 V HA -0.184 3.936 4.120 0.000 0.000 0.248 466 V C 2.573 178.446 176.094 -0.368 0.000 1.051 466 V CA 0.899 62.937 62.300 -0.437 0.000 1.048 466 V CB -0.516 30.805 31.823 -0.836 0.000 0.666 466 V HN 0.090 nan 8.190 nan 0.000 0.456 467 V N 0.567 120.332 119.914 -0.247 0.000 2.295 467 V HA -0.264 3.856 4.120 0.000 0.000 0.246 467 V C 2.772 178.806 176.094 -0.099 0.000 1.049 467 V CA 2.101 64.322 62.300 -0.131 0.000 1.024 467 V CB -1.139 30.657 31.823 -0.044 0.000 0.648 467 V HN 0.557 nan 8.190 nan 0.000 0.447 468 A N -0.800 121.969 122.820 -0.084 0.000 1.940 468 A HA -0.236 4.084 4.320 0.000 0.000 0.219 468 A C 2.340 179.892 177.584 -0.053 0.000 1.176 468 A CA 1.880 53.885 52.037 -0.054 0.000 0.631 468 A CB -0.413 18.564 19.000 -0.039 0.000 0.814 468 A HN 0.495 nan 8.150 nan 0.000 0.446 469 K N -0.622 119.732 120.400 -0.078 0.000 2.057 469 K HA -0.033 4.287 4.320 0.000 0.000 0.206 469 K C 2.364 178.933 176.600 -0.052 0.000 1.050 469 K CA 1.055 57.311 56.287 -0.052 0.000 0.935 469 K CB -0.301 32.163 32.500 -0.060 0.000 0.715 469 K HN 0.438 nan 8.250 nan 0.000 0.439 470 A N 1.681 124.439 122.820 -0.104 0.000 1.902 470 A HA -0.195 4.125 4.320 0.000 0.000 0.217 470 A C 1.909 179.467 177.584 -0.043 0.000 1.181 470 A CA 1.473 53.460 52.037 -0.084 0.000 0.623 470 A CB -0.332 18.592 19.000 -0.127 0.000 0.818 470 A HN 0.320 nan 8.150 nan 0.000 0.443 471 E N -0.467 119.708 120.200 -0.041 0.000 2.028 471 E HA -0.157 4.193 4.350 0.000 0.000 0.191 471 E C 1.941 178.530 176.600 -0.018 0.000 0.988 471 E CA 0.993 57.378 56.400 -0.025 0.000 0.799 471 E CB -0.190 29.496 29.700 -0.023 0.000 0.755 471 E HN 0.419 nan 8.360 nan 0.000 0.447 472 K N 0.861 121.251 120.400 -0.017 0.000 2.360 472 K HA -0.083 4.237 4.320 0.000 0.000 0.201 472 K C 0.822 177.417 176.600 -0.008 0.000 1.046 472 K CA 0.421 56.702 56.287 -0.010 0.000 0.945 472 K CB -0.050 32.446 32.500 -0.007 0.000 0.750 472 K HN 0.125 nan 8.250 nan 0.000 0.464 473 L N 0.563 121.781 121.223 -0.008 0.000 2.727 473 L HA 0.051 4.391 4.340 0.000 0.000 0.237 473 L C 0.814 177.679 176.870 -0.008 0.000 1.370 473 L CA -0.256 54.579 54.840 -0.008 0.000 1.248 473 L CB 0.306 42.364 42.059 -0.001 0.000 1.556 473 L HN 0.070 nan 8.230 nan 0.000 0.420 474 A N -0.690 122.125 122.820 -0.009 0.000 2.167 474 A HA 0.664 4.984 4.320 0.000 0.000 0.184 474 A C 0.687 178.266 177.584 -0.008 0.000 1.675 474 A CA 0.573 52.605 52.037 -0.008 0.000 1.215 474 A CB 0.377 19.372 19.000 -0.008 0.000 1.427 474 A HN 0.380 nan 8.150 nan 0.000 0.457 475 A N 0.000 122.815 122.820 -0.008 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 475 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486